Molecule ID: 5484169

IUPAC Name: N-(2-methyl-3,5-dinitrophenyl)hydroxylamine

Description: The molecule is a member of the class of nitrotoluenes that is 4,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 2. It has a role as a xenobiotic metabolite. It is a nitrotoluene and a member of hydroxylamines.

SMILES: Cc1c(NO)cc([N+](=O)[O-])cc1[N+](=O)[O-]

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

InChI: InChI=1S/C7H7N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3,8,11H,1H3

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 1.4