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: | 156 | |
|---|---|---|
| Name: | Methyl 4-tert-butylbenzoate | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | Benzoate | |
| CAS: | 26537-19-9 | |
| InChi Code: | InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.92 |
experimental value |
| 0.91 |
Eq2: Saturated alcohols and ketones (Test set) |