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: | 26 | |
|---|---|---|
| Name: | (S)-3-Iodo-1,2-propanediol | |
| Description: | ||
| Labels: | ||
| CAS: | 554-10-9 | |
| InChi Code: | InChI=1S/C3H7IO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.26 |
experimental value |
| -1.426 |
Eq6: Model for haloacetic acids (Training set) |