10967/76 - QDB Compounds

QsarDB Repository

Ellison, C.M.; Cronin, M.T.D.; Madden, J.C.; Schultz, T.W. Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis. SAR QSAR Environ. Res. 2008, 19, 7-8, 751–783.

Compound

ID:362
Name:1,4-Dicyanobutane
Description:InChI code was generated with Jchem for Excel
Labels:Nitrile
CAS:111-69-3
InChi Code:InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
-1.54

experimental value

-2.26

Eq2: Saturated alcohols and ketones (Test set)

Links to External Resources