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:np118
Name:1,4-dioxane
Description:
Labels:
CAS:123-91-1
InChi Code:InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

Properties

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

ValueSource or prediction
0.055

experimental value

1.145

Tab3.Eq1: Nonpolar narcosis (Test set)

1.147

QMRF1: Nonpolar narcosis (Test set)