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:np101
Name:biphenyl
Description:
Labels:
CAS:92-52-4
InChi Code:InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

Properties

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

ValueSource or prediction
-2.828

experimental value

-2.87

Tab3.Eq1: Nonpolar narcosis (Training set)

-2.867

QMRF1: Nonpolar narcosis (Training set)