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:N14
Name:1,4-dichlorobenzene
Description:
Labels:Non-polar
CAS:106-46-7
InChi Code:InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

Properties

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

ValueSource or prediction
-4.56

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

-4.29

QSAR1: Non-polar narcosis model (Training set)

-4.53

QSAR3: Narcosis model (Training set)