10967/220 - QDB Compounds

QsarDB Repository

Bajot, F.; Cronin, M. Non polar narcosis QSAR for fathead minnow acute toxicity. Q17-33-0030. Liverpool John Moores University, 2009.

Compound

ID:13
Name:2-Octanone
Description:
Labels:
CAS:111-13-7
InChi Code:InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
-2.45

experimental value

-2.73

QSAR: Non polar narcosis (Training set)