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:488
Name:3-Methyl-1-hexyn-3-ol
Description:InChI code was generated with Jchem for Excel
Labels:Unsat., aliphatic, alcohol
CAS:4339-05-3
InChi Code:InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3
Properties

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

ValueSource or prediction
-0.9

experimental value

-0.89

Eq2: Saturated alcohols and ketones (Test set)