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:p58
Name:4-nitrophenol
Description:
Labels:
CAS:100-02-7
InChi Code:InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

Properties

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

ValueSource or prediction
-1.69

experimental value

-1.886

Tab3.Eq2: Polar narcosis (Test set)

-1.82

QMRF2: Polar narcosis (Test set)