Molecule ID: 69659

IUPAC Name: 1-nitroheptane

Description: The molecule is a primary nitroalkane that is heptane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a heptane.

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

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

InChI: InChI=1S/C7H15NO2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

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