Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.
Compound
| ID: | 31 | |
|---|---|---|
| Name: | 2-bromoacrylic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 10443-65-9 | |
| InChi Code: | InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6) |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| non-mutagen |
experimental value |
| non-mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |