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: | 140 | |
|---|---|---|
| Name: | 4-chloromethyl-2(5H)-furanone | |
| Description: | ||
| Labels: | ||
| CAS: | 125973-99-1 | |
| InChi Code: | InChI=1S/C5H5ClO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2 |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |