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:S65
Name:Benzene, ethyl-
Description:
Labels:Non-polar
CAS:100-41-4
InChi Code:InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

Properties

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

ValueSource or prediction
-3.94

experimental value

-3.94

QSAR1: Non-polar narcosis model (Test set)

-4.2

QSAR3: Narcosis model (Test set)