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: | 27 | |
|---|---|---|
| Name: | 2-Chloro-2-nitropropane | |
| Description: | ||
| Labels: | ||
| CAS: | 594-71-8 | |
| InChi Code: | InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.874 |
experimental value |
| -1.197 |
Eq6: Model for haloacetic acids (Training set) |