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:np88
Name:octan-1-ol
Description:
Labels:
CAS:111-87-5
InChi Code:InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

Properties

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

ValueSource or prediction
-1.94

experimental value

-1.93

Tab3.Eq1: Nonpolar narcosis (Training set)

-1.927

QMRF1: Nonpolar narcosis (Training set)