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:489
Name:2,5-Dimethyl-3-hexyne-2,5-diol
Description:InChI code was generated with Jchem for Excel
Labels:Unsat., aliphatic, alcohol
CAS:142-30-3
InChi Code:InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

Properties

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

ValueSource or prediction
-1.58

experimental value

-1.38

Eq2: Saturated alcohols and ketones (Test set)

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