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: | 167 | |
|---|---|---|
| Name: | n-Amyl benzoate | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | Benzoate | |
| CAS: | 2049-96-9 | |
| InChi Code: | InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 1.37 |
experimental value |
| 0.95 |
Eq2: Saturated alcohols and ketones (Test set) |