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:np140
Name:1-methoxy-2-propanol, acetate
Description:
Labels:
CAS:108-65-6
InChi Code:InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3

Properties

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

ValueSource or prediction
-0.439333

experimental value

0.365

Tab3.Eq1: Nonpolar narcosis (Test set)

0.367

QMRF1: Nonpolar narcosis (Test set)