10967/215 - QDB Compounds

QsarDB Repository

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)]

ValueSource or prediction
-1.26

experimental value

-1.426

Eq6: Model for haloacetic acids (Training set)