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: | 3 | |
|---|---|---|
| Name: | (Z)-2,4-Dichloro-3-formyl-2-butenoic acid | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C5H4Cl2O3/c6-1-3(2-8)4(7)5(9)10/h2H,1H2,(H,9,10)/b4-3+ |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| 2.847 |
experimental value |
| 2.809 |
Eq6: Model for haloacetic acids (Training set) |