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:np53
Name:propylene glycol
Description:
Labels:
CAS:57-55-6
InChi Code:InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

Properties

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

ValueSource or prediction
0.11

experimental value

1.756

Tab3.Eq1: Nonpolar narcosis (Training set)

1.758

QMRF1: Nonpolar narcosis (Training set)