Molecule ID: 86289484

IUPAC Name: 5-methylnaphthalene-1-carboxylate

Description: The molecule is a member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 5-methyl-1-naphthoic acid.

SMILES: Cc1cccc2c(C(=O)[O-])cccc12

SELFIES: [C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.7