Molecule ID: 46924818

IUPAC Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate

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

SMILES: CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1

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

InChI: InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 3.1