Molecule ID: 9543058

IUPAC Name: N-[3-(hydroxyamino)-4-methyl-5-nitrophenyl]hydroxylamine

Description: The molecule is a member of the class of nitrotoluenes that is ortho-nitrotoluene bearing two additional hydroxylamino substituents located at the two positions meta to the nitro group. It has a role as a xenobiotic metabolite. It is a nitrotoluene and a member of hydroxylamines.

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

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

InChI: InChI=1S/C7H9N3O4/c1-4-6(9-12)2-5(8-11)3-7(4)10(13)14/h2-3,8-9,11-12H,1H3

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 1.1