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:np85
Name:1-chloro-4-methylbenzene
Description:
Labels:
CAS:106-43-4
InChi Code:InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

Properties

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

ValueSource or prediction
-1.32

experimental value

-2.24

Tab3.Eq1: Nonpolar narcosis (Training set)

-2.237

QMRF1: Nonpolar narcosis (Training set)