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: | 38 | |
|---|---|---|
| Name: | (S)-2,3-Dibromopropyl acrylate | |
| Description: | ||
| Labels: | ||
| CAS: | 19660-16-3 | |
| InChi Code: | InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2/t5-/m1/s1 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.55 |
experimental value |
| -1.379 |
Eq6: Model for haloacetic acids (Training set) |