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:7
Name:Dichloroacetic acid
Description:
Labels:
CAS:79-43-6
InChi Code:InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

Properties

logTA100: Mutagenic potency in strain TA100 [log(reversions/nmol)]

ValueSource or prediction
-1.829

experimental value

-1.613

Eq6: Model for haloacetic acids (Training set)