Molecule ID: 96177

IUPAC Name: 4-methyl-5-nitrobenzene-1,3-diamine

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

SMILES: Cc1c(N)cc(N)cc1[N+](=O)[O-]

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

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

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: 0.6