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:186
Name:Pentafluorobenzyl alcohol
Description:InChI code was generated with Jchem for Excel
Labels:Benzyl, alcohol
CAS:440-60-8
InChi Code:InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

Properties

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

ValueSource or prediction
-0.2

experimental value

-0.39

Eq2: Saturated alcohols and ketones (Test set)

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