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:12
Name:2-Heptanone
Description:
Labels:
CAS:110-43-0
InChi Code:InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

Properties

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

ValueSource or prediction
-3.06

experimental value

-3.21

QSAR: Non polar narcosis (Training set)