10967/219 - QDB Compounds

QsarDB Repository

Pavan, M.; Worth, A.; Netzeva, T. Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis. EUR 21749 EN. European Commission, Joint Research Centre, 2005.

Compound

ID:N11
Name:1,1,2,2-tetrachloroethane
Description:
Labels:Non-polar
CAS:79-34-5
InChi Code:InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H

Properties

logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]

ValueSource or prediction
-5.29

Veith, G. D.; Call, D. J.; Brooke, L. T. Structure–Toxicity Relationships for the Fathead Minnow, Pimephales promelas: Narcotic Industrial Chemicals. Canadian Journal of Fisheries and Aquatic Sciences 1983, 40, 743–748. https://doi.org/10.1139/f83-096

-5.32

QSAR1: Non-polar narcosis model (Training set)

-5.5

QSAR3: Narcosis model (Training set)