Molecule ID: 37182

IUPAC Name: 2-methyl-3,5-dinitroaniline

Description: The molecule is an amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group. It has a role as an explosive and a fungal xenobiotic metabolite.

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

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

InChI: InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.1