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: | 8 | |
|---|---|---|
| Name: | Chloroacetic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 79-11-8 | |
| InChi Code: | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.943 |
experimental value |
| -1.891 |
Eq6: Model for haloacetic acids (Training set) |