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: | 21 | |
|---|---|---|
| Name: | (E)-1,4-Dichloro-2-butene | |
| Description: | ||
| Labels: | ||
| CAS: | 110-57-6 | |
| InChi Code: | InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+ |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| 0.179 |
experimental value |
| -0.754 |
Eq6: Model for haloacetic acids (Training set) |