Molecule ID: 6918990

IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of lonazolac, obtained by deprotonation of the carboxy group. It is a conjugate base of a lonazolac.

SMILES: O=C([O-])Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1

SELFIES: [O][=C][Branch1][C][O-1][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)/p-1

Molecular Properties:
- Polar Surface Area: 58.0 Ų
- LogP: 4.3