Molecule ID: 91671

IUPAC Name: 2-methyl-5-nitrobenzene-1,3-diamine

Description: The molecule is a member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4. It has a role as a xenobiotic metabolite.

SMILES: Cc1c(N)cc([N+](=O)[O-])cc1N

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

InChI: InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: 0.8