Molecule ID: 4660280

IUPAC Name: 4-methyl-5-nitrobenzene-1,2-diol

Description: The molecule is a nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 4 and 5. It has a role as a bacterial xenobiotic metabolite. It is a member of catechols and a nitrotoluene.

SMILES: Cc1cc(O)c(O)cc1[N+](=O)[O-]

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

InChI: InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 1.4