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:16
Name:1,2-Dibromoethane
Description:
Labels:
CAS:106-93-4
InChi Code:InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2

Properties

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

ValueSource or prediction
-0.607

experimental value

-0.193

Eq6: Model for haloacetic acids (Training set)