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:p5
Name:phenol
Description:
Labels:
CAS:108-95-2
InChi Code:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

Properties

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

ValueSource or prediction
-1.27

experimental value

-1.487

Tab3.Eq2: Polar narcosis (Training set)

-1.385

QMRF2: Polar narcosis (Training set)