Benigni, R.; Conti, L.; Crebelli, R.; Rodomonte, A.; Vari’, M. R. Simple and α,β-unsaturated aldehydes: Correct prediction of genotoxic activity through structure-activity relationship models. Environ. Mol. Mutagen. 2005, 46, 268–280.
Compound
| ID: | Tab3_9 | |
|---|---|---|
| Name: | 2-Dichloromethyl-3,3-dichloroacrolein | |
| Description: | ||
| Labels: | ||
| CAS: | 14129-84-1 | |
| InChi Code: | InChI=1S/C4H2Cl4O/c5-3(6)2(1-9)4(7)8/h1,3H |
Properties
logTA100: Mutagenic potency in strain TA100 [log(revertants/umol)]
| Value | Source or prediction |
|---|---|
| 3.77 |
experimental value |
| 4.09 |
Eq3: Model for mutagenicityof α,β‐unsaturated aldehydes (Training set) |
Mutagenicity: Mutagenic class
| Value | Source or prediction |
|---|---|
| active |
experimental value |
| active |
Eq2: Mutagenic classification of α,β‐unsaturated aldehydes (Training set) |