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: | 15 | |
|---|---|---|
| Name: | (S)-2,3-Dibromo-1-propanol | |
| Description: | ||
| Labels: | ||
| CAS: | 96-13-9 | |
| InChi Code: | InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -0.334 |
experimental value |
| -0.778 |
Eq6: Model for haloacetic acids (Training set) |