Molecule ID: 21786118

IUPAC Name: 2-(2-amino-3-benzoylphenyl)acetate

Description: The molecule is an oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of amfenac. The major species at pH 7.3. It is a conjugate base of an amfenac.

SMILES: Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1

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

InChI: InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)/p-1

Molecular Properties:
- Polar Surface Area: 83.2 Ų
- LogP: 3.2