Molecule ID: 9543177

IUPAC Name: N-(3-amino-4-methyl-5-nitrophenyl)acetamide

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

SMILES: CC(O)=Nc1cc(N)c(C)c([N+](=O)[O-])c1

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

InChI: InChI=1S/C9H11N3O3/c1-5-8(10)3-7(11-6(2)13)4-9(5)12(14)15/h3-4H,10H2,1-2H3,(H,11,13)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.6