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: | 246 | |
|---|---|---|
| Name: | Ethyl-(R)-(-)-4-cyano-3-hydroxybutyrate | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | Ester | |
| CAS: | 141942-85-0 | |
| InChi Code: | InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -1.64 |
experimental value |
| -2.53 |
Eq2: Saturated alcohols and ketones (Test set) |