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:np136
Name:1,2-dimethylnaphthalene
Description:
Labels:
CAS:573-98-8
InChi Code:InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3

Properties

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

ValueSource or prediction
-3.15

experimental value

-3.161

Tab3.Eq1: Nonpolar narcosis (Test set)

-3.158

QMRF1: Nonpolar narcosis (Test set)