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: | 352 | |
|---|---|---|
| Name: | 4-Phenylbutyronitrile | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | Nitrile | |
| CAS: | 2046-18-6 | |
| InChi Code: | InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.14 |
experimental value |
| -0.29 |
Eq2: Saturated alcohols and ketones (Test set) |