JAZL/ChemGist-CHON huggingface dataset:
Compound: L-Fucitol
SMILES: O[C@H]([C@H](O)[C@@H](O)C)[C@H](O)CO
InChIKey: SKCKOFZKJLZSFA-KCDKBNATSA-N
Synonyms: L-Fucitol, 13074-06-1, fucitol, 6-Deoxy-L-galactitol, (2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol, 961570X3WO, CHEBI:42600, DTXSID201318579, NSC-1957, DTXSID30199557, RefChem:151859, GlyTouCan:G75395PK, DTXCID90122048, CHEBI:177915, DTXCID701748385, G75395PK, 1-deoxy-d-galactitol, D-Galactitol, 1-deoxy-, (2R,3S,4R,5S)-Hexane-1,2,3,4,5-pentaol, MFCD00083329, (2R3S4R5S)-Hexane-12345-pentaol, FOC, FUCITOL, L-, C6H14O5, L-Fuc-ol, 6-deoxy L-galactitol, orb1308798, SCHEMBL1017001, UNII-961570X3WO, SKCKOFZKJLZSFA-KCDKBNATSA-N, HY-N4112, NSC 1957, MSK165591, s3230, AKOS006274120, DB03815, MF44825, AS-57659, DB-250385, CS-0032120, NS00069062, C72222, F601646, Q3090510, Rel-(2R,3S,4R,5S)-hexane-1,2,3,4,5-pentaol, (2R pound not3S pound not4R pound not5S)-Hexane-1 pound not2 pound not3 pound not4 pound not5-pentaol
Theoretical properties:
molecular_formula: C6H14O5
molecular_weight: 166.17 g/mol
exact_mass: 166.08412354 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 11
topological_polar_surface_area: 101 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: L-fucitol is the L-enantiomer of fucitol. It is found in nutmeg. It has a role as an antibacterial agent and a plant metabolite. It is an enantiomer of a D-fucitol.
chebi: The <small>L</small>-enantiomer of fucitol. It is found in nutmeg.
wikipedia: Fucitol, also known as L-fucitol, 1-deoxy-L-galactitol, and (2R,3S,4R,5S)-hexane-1,2,3,4,5-pentol, is a sugar alcohol derived from fucoidan which is found in the North Atlantic seaweed Fucus vesiculosus or by the reduction of fucose.
Compound: L-lyxose
SMILES: O=C[C@H](O)[C@H](O)[C@@H](O)CO
InChIKey: PYMYPHUHKUWMLA-YUPRTTJUSA-N
Synonyms: L-lyxose, 1949-78-6, Lyxose, L-, M7J5HM9DY4, DTXSID30883782, RefChem:151915, GlyTouCan:G95233PP, CHEBI:62320, DTXCID101023270, G95233PP, 217-763-2, (2R,3R,4S)-2,3,4,5-tetrahydroxypentanal, L-(+)-Lyxose, aldehydo-L-lyxose, L-Lyx, C5H10O5, L(+)-Lyxose, UNII-M7J5HM9DY4, SCHEMBL36426, orb1696215, CHEBI:28480, HY-N0059A, EINECS 217-763-2, GEO-01634, MFCD09880235, MSK012555, AKOS024256786, ML00205, AS-82050, SY073917, CS-0136816, L0153, NS00081764, Q27103736
Theoretical properties:
molecular_formula: C5H10O5
molecular_weight: 150.13 g/mol
exact_mass: 150.05282342 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 10
topological_polar_surface_area: 98 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Aldehydo-L-lyxose is an L-lyxose in open-chain aldehyde form. It is an enantiomer of an aldehydo-D-lyxose.
chebi: An <small>L</small>-lyxose in open-chain aldehyde form.
wikipedia: Lyxose is an aldopentose — a monosaccharide containing five carbon atoms, and including an aldehyde functional group. It has chemical formula C5H10O5. It is a C'-2 carbon epimer of the sugar xylose. The name "lyxose" comes from reversing the prefix "xyl" in "xylose".
Lyxose occurs only rarely in nature, for example, as a component of bacterial glycolipids.
Compound: 2-NORBORNENE
SMILES: C1=CC2CCC1C2
InChIKey: JFNLZVQOOSMTJK-UHFFFAOYSA-N
Synonyms: 2-NORBORNENE, RefChem:910152, Norbornylene, NSC 120425, WLN: L55 A CUTJ, MFCD00082304, Bicyclo[2.2.1]-2-heptene, SCHEMBL2654, SCHEMBL15664, SCHEMBL64408, SCHEMBL75862, SCHEMBL79666, bicyclo[2,2,1]-2-heptene, SCHEMBL820307, SCHEMBL832708, orb3023287, SCHEMBL1562540, SCHEMBL1694955, SCHEMBL1929133, SCHEMBL6725067, DTXSID2022042, SCHEMBL10509292, SCHEMBL14938029, bicyclo [2.2.1] hept-2-ene, NSC22453, NSC120425, AKOS009157173, FN15945, HY-W013021, DB-071057, N0166, NS00007988, EN300-54688, E78935, F236981, Q420176
Theoretical properties:
molecular_formula: C7H10
molecular_weight: 94.15 g/mol
exact_mass: 94.078250319 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 7
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A bridged compound that is cyclohexane with a methylene bridge between carbons 1 and 4 and a double bond at position 2.
wikipedia: Norbornene or norbornylene or norcamphene is a highly strained bridged cyclic hydrocarbon. It is a white solid with a pungent sour odor. The molecule consists of a cyclohexene ring with a methylene bridge between carbons 3 and 6. The molecule carries a double bond which induces significant ring strain and significant reactivity.
The name comes from norbornane, from bornane.
Compound: SCHEMBL6068
SMILES: O1[C@@H](O[C@H]2[C@H](O)C[C@@]3([C@@H]4[C@H]([C@H]5[C@]([C@H]6[C@@H]([C@]7(OC[C@H](C)CC7)O[C@H]6[C@H]5O)C)(C)CC4)CC[C@H]3C2)C)[C@H](O)[C@@H](O)[C@H]([C@H]1CO)O[C@@H]8O[C@@H](C(O)[C@@H]([C@H]8O[C@@H]9O[C@@H]([C@H](O)[C@@H]([C@H]9O)O[C@@H]%10O[C@@H]([C@@H](O)[C@@H]([C@H]%10O)O)CO)CO)O[C@@H]%11OC[C@@H](O)[C@@H]([C@H]%11O)O)CO
InChIKey: UVYVLBIGDKGWPX-YCCXZQINSA-N
Synonyms: SCHEMBL6068, CHEMBL404811, UVYVLBIGDKGWPX-YCCXZQINSA-N, Q410968
Theoretical properties:
molecular_formula: C56H92O29
molecular_weight: 1229.3 g/mol
exact_mass: 1228.57242689 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 17
hydrogen_bond_acceptor_count: 29
rotatable_bond_count: 14
heavy_atom_count: 85
topological_polar_surface_area: 455 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A spirostanyl glycoside that is digitogenin in which the 3-hydroxy group is substituted by a β-<small>D</small>-glucopyranosyl-(1→3)-β-<small>D</small>-galactopyranosyl-(1→2)-[β-<small>D</small>-xylopyranosyl-(1→3)]-β-<small>D</small>-glucopyranosyl-(1→4)-β-<small>D</small>-galactopyranosyl group. It is a steroidal saponin isolated from the foxglove plant, <em>Digitalis purpurea</em>. It is used extensively as a mild non-ionic detergent for extracting proteins from membranes for structure and function studies.
chembl: DIGITONIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: Gramicidin S
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1Cc4ccccc4)=O)CC(C)C)=O)CCCN)=O)C(C)C)=O)CCC3)Cc5ccccc5)CC(C)C)CCCN)C(C)C)CCC2
InChIKey: IUAYMJGZBVDSGL-XNNAEKOYSA-N
Synonyms: Gramicidin S, 113-73-5, Gramicin S-A, Gramicin S 1, Gramicidina S, Grammidin, Gramicidinum S, Gramicidin s-a, Gramicidin s 1, gramicidine S, WHM29QA23F, Cyclo(L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl), DTXSID6046008, CHEBI:5530, DTXCID4026008, 1,10-anhydro(L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithine), RefChem:144273, Gramicidin C, Gramicidin S [INN], 9062-61-7, (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone, Gramacidine S, Gramacidine S [INN-French], Gramicidinum S [INN-Latin], Gramicidina S [INN-Spanish], cyclo(L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl), C60H92N12O10, UNII-WHM29QA23F, BRN 0605227, gramicidin a s, NCGC00095992-01, Gramicidin S TFA salt, GRAMICIDIN S [MI], 113-73-5?free base?, GRAMICIDIN S [MART.], SCHEMBL135010, GRAMICIDIN S [WHO-DD], CHEMBL373496, orb2277088, GLXC-21345, HY-P5712, Tox21_111543, EX-A13440, NCGC00095992-05, CAS-113-73-5, DA-63895, DA-73866, FG166334, CS-0889301, NS00011540, H60900, Q4147636, Cyclo[Leu-D-Phe-Pro-Val-Orn-Leu-D-Phe-Pro-Val-Orn], bis(3-aminopropyl)-dibenzyl-diisobutyl-diisopropyl-[?]decone, (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-diisobutyl-12,30-diisopropyl-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone
Theoretical properties:
molecular_formula: C60H92N12O10
molecular_weight: 1141.4 g/mol
exact_mass: 1140.70593718 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 10
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 16
heavy_atom_count: 82
topological_polar_surface_area: 325 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Gramicidin S is a homodetic cyclic peptide.
chembl: GRAMICIDIN S is a protein listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Gramicidin S or Gramicidin Soviet is an antibiotic that is effective against some gram-positive and gram-negative bacteria as well as some fungi.
It is a derivative of gramicidin, produced by the gram-positive bacterium Brevibacillus brevis. Gramicidin S is a cyclodecapeptide, constructed as two identical pentapeptides joined head to tail, formally written as cyclo(-Val-Orn-Leu-D-Phe-Pro-)2. That is to say, it forms a ring structure composed of five different amino acids, each one used twice within the structure. Another interesting point is that it utilizes two amino acids uncommon in peptides: ornithine as well as the atypical stereoisomer of phenylalanine. It is synthesized by gramicidin S synthetase.
SMILES: O[C@@H]1CC(=C(/C=C/C(=C\C=C\C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](O)CC2(C)C)C)\C)\C)\C)/C)C(C1)(C)C)C
InChIKey: JKQXZKUSFCKOGQ-HZTWDEMOSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A carotenol that is β,β-carotene carrying two hydroxy substituents at positions 3 and 3' (the 3<i>R</i>,3'<i>S</i>-diastereomer). It is rarely found in diet and is believed to be formed at the macula by metabolic transformations of ingested carotenoids.
Compound: CHEMBL5561944
SMILES: O=C1c2c(O[C@@H](C1)c3ccc(O)cc3)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@H]5O[C@@H]([C@H](O)[C@@H]([C@H]5O)O)C)O)CO)cc2O
InChIKey: DFPMSGMNTNDNHN-CSIAVLANSA-N
Synonyms: CHEMBL5561944, SCHEMBL29393354
Theoretical properties:
molecular_formula: C27H32O14
molecular_weight: 580.5 g/mol
exact_mass: 580.17920569 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 14
rotatable_bond_count: 6
heavy_atom_count: 41
topological_polar_surface_area: 225 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a unknown type listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: Biuret
SMILES: O=C(NC(=O)N)N
InChIKey: OHJMTUPIZMNBFR-UHFFFAOYSA-N
Synonyms: Biuret, 108-19-0, Carbamoylurea, Allophanamide, IMIDODICARBONIC DIAMIDE, Carbamylurea, Ureidoformamide, Allophanic acid amide, Dicarbamylamine, Isobiuret, Allophanimidic acid, Urea, (aminocarbonyl)-, Caswell No. 159A, DTXSID2026783, 89LJ369D1H, NSC-8020, DTXCID606783, CHEBI:18138, RefChem:120563, 203-559-0, Dicarbonimidic diamide, 1-(carbamoylamino)formamide, MFCD00007946, Biuret reagent, 2-imidodicarbonic diamide, NSC 8020, (aminocarbonyl)urea, L-101, Isobiuret (VAN), Caswell No. 106A, Biuret (contains ca. 10% Triuret), Allophanimidic acid (VAN), CAS-108-19-0, HSDB 5382, EINECS 203-559-0, EPA Pesticide Chemical Code 206200, UNII-89LJ369D1H, AI3-14905, C5J, Biuret, 97%, Dicarbonimidic diamide #, BIURET [MI], bmse000470, amino-N-(???methyl)amide, SCHEMBL15045, SCHEMBL1021041, SCHEMBL3278938, CHEMBL1889026, Biuret, for synthesis, 97.0%, NSC8020, Tox21_202163, Tox21_303191, BBL012096, EBC-13360, STK068927, IMIDODICARBONIC DIAMIDE [HSDB], AKOS000491582, I(1/4)-imido-dicarbonic acid diamide, CS-W016643, FB37555, Biuret, Vetec(TM) reagent grade, 98%, NCGC00091696-01, NCGC00091696-02, NCGC00257088-01, NCGC00259712-01, DS-12122, ST040014, SY010569, B0513, B3228, NS00019421, C06555, D78197, EN300-352284, F476886, Q414902, Z57206006
Theoretical properties:
molecular_formula: C2H5N3O2
molecular_weight: 103.08 g/mol
exact_mass: 103.038176411 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 98.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: ELONGATED PLATES FROM ETHANOL
color: ELONGATED PLATES FROM ETHANOL
odor: ODORLESS
melting_point: 190 °C, DECOMP
density: 1.467 @ -5 °C/4 °C
solubility: SOL IN 100 G WATER: 2.01 G @ 25 °C, 7 G @ 50 °C, 20 G @ 75 °C, 53.5 G @ 105.5 °C; FREELY SOL IN ALCOHOL; VERY SLIGHTLY SOL IN ETHER
Descriptions:
pubchem: Biuret is a member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed.
chebi: A member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Biuret ( BYUR-ret) is a chemical compound with the chemical formula HN(CONH2)2. It is a white solid that is soluble in hot water. A variety of organic derivatives are known. The term "biuret" also describes a family of organic compounds with the chemical formula R1R2N−C(=O)−N(R3)−C(=O)−NR4R5, where R1, R2, R3, R4 and R5 are hydrogen, organyl or other groups. Also known as carbamylurea, it results from the condensation of two equivalents of urea. It is a common undesirable impurity in urea-based fertilizers, as biuret is toxic to plants.
Compound: dipropan-2-yl 2,3-dihydroxybutanedioate
SMILES: O=C(OC(C)C)C(O)C(O)C(=O)OC(C)C
InChIKey: XEBCWEDRGPSHQH-UHFFFAOYSA-N
Synonyms: dipropan-2-yl 2,3-dihydroxybutanedioate, 220038-45-9, 91007-92-0, Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-, Diisopropyl 2,3-dihydroxysuccinate #, Diisopropyl 2,3-dihydroxysuccinate, diisopropyl 2,3-dihydroxybutanedioate, diisopropyl 1-tartrate, (+)-Diisopropyl tartrate, SCHEMBL571478, DTXSID00870947, NSC406502, AKOS015900591, NSC-406502, LS-13878, DB-016142, DB-016143, Di(propan-2-yl) 2,3-dihydroxybutanedioate, NS00050211, Diisopropyl tartrate; Diisopropyl L-(+)-tartarate, Q670450, (-)-Diisopropyl D-tartrate; D-(-)-Tartaric acid diisopropyl ester
Theoretical properties:
molecular_formula: C10H18O6
molecular_weight: 234.25 g/mol
exact_mass: 234.11033829 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 7
heavy_atom_count: 16
topological_polar_surface_area: 93.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Diisopropyl tartrate (DIPT) is a diester of tartaric acid. It has a two chiral carbon atoms giving rise to three stereoisomeric variants. It is commonly used in asymmetric synthesis as a catalyst and as chiral building block for pharmaceuticals and agrochemicals.  Its main application is in Sharpless epoxidation, where it serves as a chiral ligand to titanium after reaction with titanium isopropoxide.
Compound: Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)-
SMILES: O=C(OC(C)C)[C@@H](O)[C@H](O)C(=O)OC(C)C
InChIKey: XEBCWEDRGPSHQH-YUMQZZPRSA-N
Synonyms: Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)-, Diisopropyl (S-(R*,R*))-tartrate, Diisopropyl [S-(R*,R*)]-tartrate, RefChem:587857, Diisopropyl (-)-tartrate, 263-771-4, 62961-64-2, Diisopropyl d-tartrate, (2S,3S)-Diisopropyl 2,3-dihydroxysuccinate, (-)-Diisopropyl D-tartrate, D-(-)-Tartaric acid diisopropyl ester, Diisopropyl D-(-)-Tartrate, MFCD00008876, dipropan-2-yl (2S,3S)-2,3-dihydroxybutanedioate, 1,4-bis(propan-2-yl) (2S,3S)-2,3-dihydroxybutanedioate, Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1-methylethyl) ester, (2S,3S)-, Diisopropyl 2,3-dihydroxysuccinate #, (-)-D-TARTARIC ACID DIISOPROPYL ESTER, EINECS 263-771-4, D-(-)-Diisopropyl tartrate, D-DIPT, (-)-dipt, NR56L58SBQ, diisopropyl D-(-)-tartarate, (a")-Diisopropyl-D-tartrate, orb2940019, SCHEMBL1336756, (-)-Diisopropyl D-tartrate, 98%, (S-(R*,R*))-2,3-Dihydroxybutanedioic acid, bis(1-methylethyl) ester, AC7825, AKOS005264821, AC-8071, FD34839, HY-W037483, AC-20451, AS-11865, SY006106, (2S,3S)-Diisopropyl2,3-dihydroxysuccinate, CS-0093795, T1387, diisopropyl (2S,3S)-2,3-dihydroxybutanedioate, EN300-6492690, F093351
Theoretical properties:
molecular_formula: C10H18O6
molecular_weight: 234.25 g/mol
exact_mass: 234.11033829 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 7
heavy_atom_count: 16
topological_polar_surface_area: 93.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: Isocyanic acid
SMILES: O=C=N
InChIKey: OWIKHYCFFJSOEH-UHFFFAOYSA-N
Synonyms: Isocyanic acid, 75-13-8, Hydrogen isocyanate, HNCO, isozyansaeure, oxidoazanediidocarbon, HN=C=O, CHEBI:29202, Isocyanic acid (hnco), QKG6U31925, [C(NH)O], DTXSID9073884, (C(NH)O), carboximidoyloxidane, RefChem:791715, DTXCID1047732, 616-189-3, isocyansaeure, CHNO, imino-ketone, UNII-QKG6U31925, Epitope ID:122970, SCHEMBL4020, ISOCYANIC ACID [MI], H N C O, SCHEMBL157482, DB-011759, Q25774, Q27110285
Theoretical properties:
molecular_formula: CHNO
molecular_weight: 43.025 g/mol
exact_mass: 43.005813655 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 40.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Isocyanic acid is a colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. It is a hydracid and a one-carbon compound. It is a conjugate acid of a cyanate. It is a tautomer of a cyanic acid.
chebi: A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.
wikipedia: Isocyanic acid is a chemical compound with the structural formula HNCO, which is often written as H−N=C=O. It is a colourless, volatile and poisonous gas, condensing at 23.5 °C. It is the predominant tautomer and an isomer of cyanic acid (aka. cyanol) (H−O−C≡N), and the monomer of cyanuric acid.
The derived anion of isocyanic acid is the same as the derived anion of cyanic acid, and that anion is [N=C=O]−, which is called cyanate. The related functional group −N=C=O is isocyanate; it is distinct from cyanate (−O−C≡N), fulminate (−O−N+≡C−), and nitrile oxide (−C≡N+−O−).
Isocyanic acid was discovered in 1830 by Justus von Liebig and Friedrich Wöhler.
Isocyanic acid is the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly found elements in organic chemistry and biology. It is the only fairly stable one of the four linear isomers with molecular formula HOCN that have been synthesized, the others being cyanic acid (cyanol, H−O−C≡N) and the elusive fulminic acid (H−C≡N+−O−) and isofulminic acid H−O−N+≡C−.
Compound: azanylidyneoxidanium
SMILES: [O+]#N
InChIKey: KEJOCWOXCDWNID-UHFFFAOYSA-N
Synonyms: azanylidyneoxidanium, DTXSID901027026, RefChem:560453, DTXCID301511231, NOCAS_1027026, nitrilooxonium, nitrosonium ion, Nitrosyl ion, nitrosonium, oxidonitrogen(+), oxidonitrogen(1+), nitric oxide(1+), Nitrogen oxide cation, SCHEMBL219435, CHEBI:29120, KEJOCWOXCDWNID-UHFFFAOYSA-N, NO(+), [NO](+), Q2500533, NO+
Theoretical properties:
molecular_formula: NO+
molecular_weight: 30.006 g/mol
exact_mass: 29.997988624 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 2
topological_polar_surface_area: 24.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Oxidonitrogen(1+) is a monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide. It is a nitrogen oxide and a monovalent inorganic cation.
chebi: A monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide.
wikipedia: Cyclopentadienyl nickel nitrosyl is an organonickel compound with the formula (C5H5)NiNO. It is a diamagnetic, volatile, relatively air-stable red liquid. It has been reported to be the simplest mono-cyclopentadienyl metal complex. It is prepared by treating nickelocene with nitric oxide.  The complex has C5v symmetry.
The compound reacts with lithium aluminium hydride to give the paramagnetic cluster (C5H5)4Ni4H3.
The related pentamethylcyclopentadienyl complex (C5(CH3)5)NiNO is also known.
Cyclopentadienyl nickel nitrosyl was the subject of several patents as a fuel additive.
Compound: 79769-56-5
SMILES: O=c1n2n(ccc2=O)cc1
InChIKey: DOYVLWSSQKOKHQ-UHFFFAOYSA-N
Synonyms: 79769-56-5, M4U7HN57SZ, 1H,7H-Pyrazolo(1,2-a)pyrazole-1,7-dione, Pyrazolo(1,2-a)pyrazole-3,5-dione, UNII-M4U7HN57SZ, 1H,7H-Pyrazolo[1,2-a]pyrazole-1,7-dione, SCHEMBL20398980, DTXSID30515298, Q4913704
Theoretical properties:
molecular_formula: C6H4N2O2
molecular_weight: 136.11 g/mol
exact_mass: 136.027277375 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 40.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Bimane is a heterocyclic chemical compound.  Bimane forms the core of a class of fluorescent dyes known as bimane dyes.