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: | 36 | |
|---|---|---|
| Name: | 3-Chloro-N,N-dimethyl-1-propanamine | |
| Description: | Name and CAS do not match | |
| Labels: | ||
| CAS: | 5407-04-5 | |
| InChi Code: | InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -2.4 |
experimental value |
| -2.736 |
Eq6: Model for haloacetic acids (Training set) |