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:np133
Name:1-methyl-4-(1-methylethyl)benzene
Description:
Labels:
CAS:99-87-6
InChi Code:InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

Properties

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

ValueSource or prediction
-2.29

experimental value

-2.964

Tab3.Eq1: Nonpolar narcosis (Test set)

-2.961

QMRF1: Nonpolar narcosis (Test set)