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: | 28 | |
|---|---|---|
| Name: | (R)-1-Chloro-1-nitropropane | |
| Description: | ||
| Labels: | ||
| CAS: | 600-25-9 | |
| InChi Code: | InChI=1S/C3H6ClNO2/c1-2-3(4)5(6)7/h3H,2H2,1H3/t3-/m0/s1 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -0.679 |
experimental value |
| -1.284 |
Eq6: Model for haloacetic acids (Training set) |