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:33
Name:3,3-Dimethyl-1-butanol
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:624-95-3
InChi Code:InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

Properties

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

ValueSource or prediction
-0.74

experimental value

-0.68

Eq2: Saturated alcohols and ketones (Training set)

-0.66

QMRF: Saturated alcohols and ketones (Training set)

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