Molecule ID: 127995

IUPAC Name: 1-carboxyethenylimino-(2-methylpropyl)-oxidoazanium

Description: The molecule is an azoxy compound that is acrylic acid in which the olefinic hydrogen at position 2 has been replaced by an isobutyl-ONN-azoxy group. It has a role as a bacterial metabolite and an antimicrobial agent. It is an azoxy compound and an alpha,beta-unsaturated monocarboxylic acid. It derives from an acrylic acid.

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

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

InChI: InChI=1S/C7H12N2O3/c1-5(2)4-9(12)8-6(3)7(10)11/h5H,3-4H2,1-2H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 78.4 Ų
- LogP: 1.4