Pérez-Garrido, A.; González, M. P.; Escudero, A. G. Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity. Bioorg. Med. Chem. 2008, 16, 5720–5732.
Compound
| ID: | 32 | |
|---|---|---|
| Name: | 2-Chloroethyl acrylate | |
| Description: | ||
| Labels: | ||
| CAS: | 2206-89-5 | |
| InChi Code: | InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.214 |
experimental value |
| -0.485 |
Eq6: Model for haloacetic acids (Training set) |