Molecule ID: 9543061

IUPAC Name: N-(5-amino-2-methyl-3-nitrophenyl)hydroxylamine

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

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

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

InChI: InChI=1S/C7H9N3O3/c1-4-6(9-11)2-5(8)3-7(4)10(12)13/h2-3,9,11H,8H2,1H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.9