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:36
Name:3-Ethyl-2,2-dimethyl-3-pentanol
Description:InChI code was generated with Jchem for Excel
Labels:
CAS:66793-96-2
InChi Code:InChI=1S/C9H20O/c1-6-9(10,7-2)8(3,4)5/h10H,6-7H2,1-5H3

Properties

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

ValueSource or prediction
-0.17

experimental value

0.38

Eq2: Saturated alcohols and ketones (Training set)

0.46

QMRF: Saturated alcohols and ketones (Training set)

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