Compound: indole
SMILES: [nH]1c2c(cccc2)cc1
InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
Synonyms: indole, 1H-Indole, 120-72-9, 2,3-Benzopyrrole, Indol, 1-Benzazole, Ketole, 1-Azaindene, Benzopyrrole, FEMA No. 2593, DTXSID0020737, 8724FJW4M5, NSC-1964, DTXCID40737, CHEBI:16881, RefChem:5904, CHEBI:22728, CHEBI:35581, Indole, 3-Benzopyrrole, 1-benzazole, 204-420-7, 2,3-Benzopyrole, Caswell No. 498B, Indol [German], Indole (natural), 1-Benzo(b)pyrrole, 1H-Benzo[b]pyrrole, MFCD00005607, CCRIS 4421, HSDB 599, EPA Pesticide Chemical Code 025000, Benzo[b]pyrrole, AI3-01540, CHEMBL15844, Indole 100 microg/mL in Acetonitrile, NCGC00167539-01, IND, 82451-55-6, CAS-120-72-9, NSC 1964, EINECS 204-420-7, benzazole, mono-indole, UNII-8724FJW4M5, 1-H-indole, Indole, 7, INDOLUM, Indole (8CI), Dolasetron Impurity 6, 1H-Indole (9CI), INDOLUM [HPUS], INDOLE [FHFI], INDOLE [HSDB], INDOLE [FCC], INDOLE [USP-RS], INDOLE [MI], Indole, >=99%, SCHEMBL698, bmse000097, Indole, analytical standard, SCHEMBL1188, SCHEMBL1538, Indole, >=99%, FG, SCHEMBL20275, SCHEMBL23200, SCHEMBL23314, SCHEMBL23566, SCHEMBL25894, WLN: T56 BMJ, BIDD:GT0304, SCHEMBL448936, SCHEMBL449240, SCHEMBL449275, SCHEMBL449872, SCHEMBL449943, SCHEMBL450257, SCHEMBL450679, SCHEMBL451288, SCHEMBL451350, SCHEMBL451368, SCHEMBL451603, SCHEMBL451836, SCHEMBL451879, SCHEMBL451985, SCHEMBL452761, SCHEMBL453718, SCHEMBL453859, SCHEMBL454496, SCHEMBL454533, SCHEMBL454580, SCHEMBL454701, INDOLE   BENZO-PYRROLE, orb1302556, orb3141470, SCHEMBL8316256, SCHEMBL16861354, SCHEMBL29352896, NSC1964, 185l, HMS5086O16, MSK24020, STR01201, Tox21_112536, Tox21_201677, Tox21_302937, BBL011739, BDBM50094702, EBC-03200, s6358, SBB055980, STL163380, AKOS000119629, Tox21_112536_1, AT36838, CG-0501, CS-W001132, DB04532, HY-W001132, Indole(Discontinued,See C4X-18676), Indole, puriss., >=98.5% (GC), NCGC00167539-02, NCGC00167539-03, NCGC00256348-01, NCGC00259226-01, BP-10563, DS-011308, I0021, NS00010849, ST51046571, EN300-18285, C00463, I-0800, SBI-0653862.0001, F068792, Q319541, SR-01000944736, SR-01000944736-1, Z57833933, F2190-0647, InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9
Theoretical properties:
molecular_formula: C8H7N
molecular_weight: 117.15 g/mol
exact_mass: 117.057849228 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 15.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: LEAFLETS (WATER, PETROLEUM), CRYSTALS (ETHER)
color: LEAFLETS (WATER, PETROLEUM), CRYSTALS (ETHER)
odor: ALMOST FLORAL ODOR WHEN HIGHLY PURIFIED, OTHERWISE EXHIBITS CHARACTERISTIC ODOR OF FECES
density: 1.22 g/cu cm at 25 °C
vapor_pressure: 0.01 [mmHg]
Descriptions:
pubchem: 1H-indole is an indole and a polycyclic heteroarene. It has a role as an Escherichia coli metabolite. It is a tautomer of a 3H-indole.
chembl: INDOLE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Indole is an organic compound with the formula  C6H4CCNH3.  Indole is classified as an aromatic heterocycle. It has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered pyrrole ring. Indoles are derivatives of indole where one or more of the hydrogen atoms have been replaced by substituent groups.  Indoles are widely distributed in nature, most notably as amino acid tryptophan and neurotransmitter serotonin.. In plants, IAA is a common plant hormone which is a derivative of Indole.