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: | 42 | |
|---|---|---|
| Name: | (±)-1,2-Butanediol | |
| Description: | InChI code was generated with Jchem for Excel | |
| Labels: | ||
| CAS: | 26171-83-5 | |
| InChi Code: | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
Properties
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -2.05 |
experimental value |
| -2.24 |
Eq2: Saturated alcohols and ketones (Training set) |
| -2.31 |
QMRF: Saturated alcohols and ketones (Training set) |