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: | 41 | |
|---|---|---|
| Name: | 3-Bromo-3-buten-2-one | |
| Description: | ||
| Labels: | ||
| CAS: | 61203-01-8 | |
| InChi Code: | InChI=1S/C4H5BrO/c1-3(5)4(2)6/h1H2,2H3 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -0.886 |
experimental value |
| -1.197 |
Eq6: Model for haloacetic acids (Training set) |