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: | 16 | |
|---|---|---|
| Name: | (E)-crotonaldehyde | |
| Description: | ||
| Labels: | ||
| CAS: | 123-73-9 | |
| InChi Code: | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |