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:np83
Name:3,4-dichlorotoluene
Description:
Labels:
CAS:95-75-0
InChi Code:InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Properties

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

ValueSource or prediction
-3.31

experimental value

-2.823

Tab3.Eq1: Nonpolar narcosis (Training set)

-2.82

QMRF1: Nonpolar narcosis (Training set)