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: | 261 | |
|---|---|---|
| Name: | (trans)-2-Butenyl acetate | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | Ester | |
| CAS: | 628-08-0 | |
| InChi Code: | InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3-4H,5H2,1-2H3/b4-3+ |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -0.87 |
experimental value |
| -0.62 |
Eq2: Saturated alcohols and ketones (Test set) |