Molecule ID: 71815

IUPAC Name: 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

Description: The molecule is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It has a role as an epitope. It is a C-nitro compound, a member of imidazoles and a secondary alcohol.

SMILES: Cc1ncc([N+](=O)[O-])n1CC(C)O

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

InChI: InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 83.9 Ų
- LogP: 0.2