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:361
Name:1,6-Dicyanohexane
Description:InChI code was generated with Jchem for Excel
Labels:Nitrile
CAS:629-40-3
InChi Code:InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2

Properties

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

ValueSource or prediction
-0.77

experimental value

-1.55

Eq2: Saturated alcohols and ketones (Test set)

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