Molecule ID: 5049265

IUPAC Name: naphthalene-1-carboxylate

Description: The molecule is a naphthoate that is the conjugate base of 1-naphthoic acid. It has a role as a bacterial xenobiotic metabolite and a fungal xenobiotic metabolite. It is a conjugate base of a 1-naphthoic acid.

SMILES: O=C([O-])c1cccc2ccccc12

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

InChI: InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)/p-1

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