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: | 22 | |
|---|---|---|
| Name: | (2S,3S,4S,5S)-1,6-Dibromohexane-2,3,4,5-tetraol | |
| Description: | ||
| Labels: | ||
| CAS: | 488-41-5 | |
| InChi Code: | InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
Properties
logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]
| Value | Source or prediction |
|---|---|
| -1.607 |
experimental value |
| -1.632 |
Eq6: Model for haloacetic acids (Training set) |