Molecule ID: 112230

IUPAC Name: 2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid

Description: The molecule is an organochlorine compound that is the 3'-hydroxylated metabolite of diclofenac. It has a role as a drug metabolite and an allergen. It is a dichlorobenzene, a monocarboxylic acid, a member of phenols and a secondary amino compound. It derives from a diclofenac.

SMILES: O=C(O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl

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

InChI: InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 4.0