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:np105
Name:2-phenoxyethanol
Description:
Labels:
CAS:122-99-6
InChi Code:InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Properties

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

ValueSource or prediction
-0.76

experimental value

-0.237

Tab3.Eq1: Nonpolar narcosis (Training set)

-0.235

QMRF1: Nonpolar narcosis (Training set)