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:25
Name:1-Adamantanol
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:768-95-6
InChi Code:InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

Properties

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

ValueSource or prediction
-0.08

experimental value

-0.37

Eq1: Saturated alcohols and ketones (Training set)

-0.34

Eq2: Saturated alcohols and ketones (Training set)

-0.07

QMRF: Saturated alcohols and ketones (Training set)

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