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: | 33 | |
|---|---|---|
| Name: | (S)-2-(2,2,2-Trichloroethyl)oxirane | |
| Description: | ||
| Labels: | ||
| CAS: | 3083-25-8 | |
| InChi Code: | InChI=1S/C4H5Cl3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2/t3-/m0/s1 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.193 |
experimental value |
| -1.25 |
Eq6: Model for haloacetic acids (Training set) |