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:480
Name:1-Hexen-3-ol
Description:InChI code was generated with Jchem for Excel
Labels:Unsat., aliphatic, alcohol
CAS:4798-44-1
InChi Code:InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3

Properties

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

ValueSource or prediction
-0.81

experimental value

-0.75

Eq2: Saturated alcohols and ketones (Test set)

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