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:p21
Name:2,4,5-trichlorophenol
Description:
Labels:
CAS:95-95-4
InChi Code:InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

Properties

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

ValueSource or prediction
-2.65

experimental value

-3.001

Tab3.Eq2: Polar narcosis (Training set)

-2.965

QMRF2: Polar narcosis (Training set)