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:p32
Name:4-nonylphenol
Description:
Labels:
CAS:104-40-5
InChi Code:InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

Properties

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

ValueSource or prediction
-4.08

experimental value

-4.104

Tab3.Eq2: Polar narcosis (Training set)

-4.066

QMRF2: Polar narcosis (Training set)