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:S20
Name:Propane, 1,2-dichloro-
Description:
Labels:Non-polar
CAS:78-87-5
InChi Code:InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3

Properties

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

ValueSource or prediction
-2.91

experimental value

-3.27

QSAR1: Non-polar narcosis model (Test set)

-3.57

QSAR3: Narcosis model (Test set)