Molecule ID: 5955

IUPAC Name: 4-nitro-1-oxidoquinolin-1-ium

Description: The molecule is a quinoline N-oxide carrying a nitro substituent at position 4. It has a role as a carcinogenic agent. It is a C-nitro compound and a quinoline N-oxide.

SMILES: O=[N+]([O-])c1cc[n+]([O-])c2ccccc12

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

InChI: InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H

Molecular Properties:
- Polar Surface Area: 71.3 Ų
- LogP: 1.1