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:np143
Name:(1s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
Description:
Labels:
CAS:127-91-3
InChi Code:InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

Properties

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

ValueSource or prediction
-3.37011

experimental value

-3.02

Tab3.Eq1: Nonpolar narcosis (Test set)

-3.017

QMRF1: Nonpolar narcosis (Test set)