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)]
| Value | Source or prediction |
|---|---|
| -0.9 |
experimental value |
| -0.89 |
Eq2: Saturated alcohols and ketones (Test set) |