Molecule ID: 6849

IUPAC Name: 1-nitronaphthalene

Description: The molecule is a mononitronaphthalene substituted by a nitro group at position 1. It has a role as an environmental contaminant and a mouse metabolite.

SMILES: O=[N+]([O-])c1cccc2ccccc12

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

InChI: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 3.2