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: | 166 | |
|---|---|---|
| Name: | Isobutyl benzoate | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | Benzoate | |
| CAS: | 120-50-3 | |
| InChi Code: | InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.98 |
experimental value |
| 0.51 |
Eq2: Saturated alcohols and ketones (Test set) |