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:495
Name:4,6-Dimethyl-α-pyrone
Description:InChI code was generated with Jchem for Excel
Labels:Unsat., aliphatic, ketone
CAS:675-09-2
InChi Code:InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3

Properties

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

ValueSource or prediction
-0.93

experimental value

-1.35

Eq2: Saturated alcohols and ketones (Test set)