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:S141
Name:Cyclohexanol, 5-methyl-2-(1methylethyl)-
Description:
Labels:Non-polar
CAS:1490-04-6
InChi Code:InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3

Properties

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

ValueSource or prediction
-3.93

experimental value

-4.24

QSAR1: Non-polar narcosis model (Test set)

-4.48

QSAR3: Narcosis model (Test set)