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:106
Name:Anisole
Description:InChI code was generated with Jchem for Excel
Labels:Anisole
CAS:100-66-3
InChi Code:InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
Properties

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

ValueSource or prediction
-0.48

experimental value
-0.36

Eq2: Saturated alcohols and ketones (Test set)
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