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: | 1 | |
|---|---|---|
| Name: | 2,4,4-Trichloro-3-(dichloromethyl)-2-butenoic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 97055-37-3 | |
| InChi Code: | InChI=1S/C5H3Cl5O2/c6-2(5(11)12)1(3(7)8)4(9)10/h3-4H,(H,11,12) |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| 2.821 |
experimental value |
| 3.646 |
Eq6: Model for haloacetic acids (Training set) |