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: | 41 | |
|---|---|---|
| Name: | 2,5-Hexanediol | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | ||
| CAS: | 2935-44-6 | |
| InChi Code: | InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -1.96 |
experimental value |
| -1.53 |
Eq2: Saturated alcohols and ketones (Training set) |
| -1.56 |
QMRF: Saturated alcohols and ketones (Training set) |