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:449
Name:1,6-Hexanedithiol
Description:InChI code was generated with Jchem for Excel
Labels:Thiol
CAS:1191-43-1
InChi Code:InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

Properties

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

ValueSource or prediction
0.63

experimental value

0.47

Eq2: Saturated alcohols and ketones (Test set)

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