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:52
Name:3,3-Dimethyl-2-butanone
Description:
Labels:
CAS:75-97-8
InChi Code:InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3

Properties

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

ValueSource or prediction
-2.94

experimental value

-3.79

QSAR: Non polar narcosis (Training set)