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:276
Name:tert-Butyl acetate
Description:InChI code was generated with Jchem for Excel
Labels:Ester
CAS:540-88-5
InChi Code:InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3

Properties

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

ValueSource or prediction
-1.49

experimental value

-0.64

Eq2: Saturated alcohols and ketones (Test set)