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:np99
Name:2-(phenylmethoxy)naphthalene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2

Properties

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

ValueSource or prediction
-2.784

experimental value

-3.302

Tab3.Eq1: Nonpolar narcosis (Training set)

-3.299

QMRF1: Nonpolar narcosis (Training set)