10967/218 - QDB Compounds

QsarDB Repository

Claeys, L.; Iaccino, F.; Janssen, C. R.; Van Sprang, P.; Verdonck, F. Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish. Environ. Toxicol. Chem. 2013, 32, 2217–2225.

Compound

ID:np7
Name:4-methyl-2-pentanone
Description:
Labels:
CAS:108-10-1
InChi Code:InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

Properties

NOEC: Chronic fish toxicity as logNOEC [log(mmol/L)]

ValueSource or prediction
0.39

experimental value

-0.341

Tab3.Eq1: Nonpolar narcosis (Training set)

-0.338

QMRF1: Nonpolar narcosis (Training set)