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: | 13 | |
|---|---|---|
| Name: | 2,2-Dichloroacetyl Chloride | |
| Description: | ||
| Labels: | ||
| CAS: | 79-36-7 | |
| InChi Code: | InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.212 |
experimental value |
| -0.931 |
Eq6: Model for haloacetic acids (Training set) |