Molecule ID: 5468

IUPAC Name: 2-(5-benzoylthiophen-2-yl)propanoic acid

Description: The molecule is an aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group. It has a role as a non-steroidal anti-inflammatory drug and a drug allergen. It is a member of thiophenes, a monocarboxylic acid and an aromatic ketone.

SMILES: CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1

SELFIES: [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N]

InChI: InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)

Molecular Properties:
- Polar Surface Area: 82.6 Ų
- LogP: 3.3