Molecule ID: 13454957

IUPAC Name: 5-methylnaphthalene-1-carboxylic acid

Description: The molecule is a member of the class of naphthoic acids that is 1-naphthoic acid substituted at position 5 by a methyl group. It has a role as a bacterial metabolite. It is a conjugate acid of a 5-methyl-1-naphthoate.

SMILES: Cc1cccc2c(C(=O)O)cccc12

SELFIES: [C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=N][Ring1][=Branch2]

InChI: InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.5