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: | 77 | |
|---|---|---|
| Name: | Pentaerythritol triacrylate | |
| Description: | ||
| Labels: | ||
| CAS: | 3524-68-3 | |
| InChi Code: | InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2 |
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) |
MCGM: Mammalian cell gene mutation test class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq5: Model for α,β-unsaturated carbonyl compounds (Training set) |