Molecule ID: 7452

IUPAC Name: 1,3-dinitrobenzene

Description: The molecule is a dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. It has a role as a neurotoxin.

SMILES: O=[N+]([O-])c1cccc([N+](=O)[O-])c1

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

InChI: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: 1.5