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:35
Name:(R)-2-(Bromomethyl)oxirane
Description:
Labels:
CAS:3132-64-7
InChi Code:InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1

Properties

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

ValueSource or prediction
-0.371

experimental value

-0.432

Eq6: Model for haloacetic acids (Training set)