10967/76 - QDB Compounds

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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:412
Name:3-Benzylpyridine
Description:InChI code was generated with Jchem for Excel
Labels:Pyridine
CAS:620-95-1
InChi Code:InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2

Properties

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

ValueSource or prediction
0.68

experimental value

0.38

Eq2: Saturated alcohols and ketones (Test set)

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