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:np30
Name:1,2,4-trichlorobenzene
Description:
Labels:
CAS:120-82-1
InChi Code:InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H

Properties

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

ValueSource or prediction
-2.84

experimental value

-2.889

Tab3.Eq1: Nonpolar narcosis (Training set)

-2.886

QMRF1: Nonpolar narcosis (Training set)