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:N10
Name:1,2-dichloroethane
Description:
Labels:Non-polar
CAS:107-06-2
InChi Code:InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2

Properties

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

ValueSource or prediction
-2.92

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. http://dx.doi.org/10.1139/f83-096

-2.6

QSAR1: Non-polar narcosis model (Training set)

-2.94

QSAR3: Narcosis model (Training set)