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:21
Name:2-Methyl-2-propanol
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:75-65-0
InChi Code:InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

Properties

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

ValueSource or prediction
-1.79

experimental value

-1.71

Eq1: Saturated alcohols and ketones (Training set)

-1.74

Eq2: Saturated alcohols and ketones (Training set)

-1.47

QMRF: Saturated alcohols and ketones (Training set)

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