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:np75
Name:phenanthrene
Description:
Labels:
CAS:85-01-8
InChi Code:InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

Properties

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

ValueSource or prediction
-3.61

experimental value

-3.302

Tab3.Eq1: Nonpolar narcosis (Training set)

-3.299

QMRF1: Nonpolar narcosis (Training set)