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:p47
Name:4-(1,1,3,3-tetramethylbutyl)phenol
Description:
Labels:
CAS:140-66-9
InChi Code:InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

Properties

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

ValueSource or prediction
-4.64

experimental value

-3.521

Tab3.Eq2: Polar narcosis (Test set)

-3.469

QMRF2: Polar narcosis (Test set)