Molecule ID: 3052566

IUPAC Name: 2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid

Description: The molecule is a monocarboxylic acid that is the 5-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)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl

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

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

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 3.9