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: | 83 | |
|---|---|---|
| Name: | Trimethylolpropane triacrylate | |
| Description: | ||
| Labels: | ||
| CAS: | 15625-89-5 | |
| InChi Code: | InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3 |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| 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 (Test set) |