Molecule ID: 8371

IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. It has a role as a metabolite and an EC 2.7.1.33 (pantothenate kinase) inhibitor. It is an organochlorine compound and a member of 1,4-benzoquinones.

SMILES: O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl

SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl]

InChI: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 3.4