Molecule ID: 444707

IUPAC Name: (1S,2R,6S,7R)-1,7,8,9,10,10-hexachloro-4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Description: The molecule is an organic heterotricyclic compound arising from formal [4+2]-cycloaddition of hexachlorocyclopentadiene to N-methylmaleimide. It has a role as an epitope. It is an organochlorine compound, an organic heterotricyclic compound and a bridged compound. It derives from a succinimide.

SMILES: CN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl

SELFIES: [C][N][C][=Branch1][C][=O][C@@H1][C@H1][Branch1][Branch1][C][Ring1][=Branch1][=O][C@][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C@@][Ring1][O][Branch1][C][Cl][C][Ring1][=Branch2][Branch1][C][Cl][Cl]

InChI: InChI=1S/C10H5Cl6NO2/c1-17-6(18)2-3(7(17)19)9(14)5(12)4(11)8(2,13)10(9,15)16/h2-3H,1H3/t2-,3+,8+,9-

Molecular Properties:
- Polar Surface Area: 37.4 Ų
- LogP: 2.0