Schultz, T.W.; Hewitt, M.; Netzeva, T.I.; Cronin, M.T.D. Assessing Applicability Domains of Toxicological QSARs: Definition, Confidence in Predicted Values, and the Role of Mechanisms of Action. QSAR Comb. Sci. 2007, 26, 2, 238–254.
Compound
| ID: | 354 | |
|---|---|---|
| Name: | 2-(Benzylthio)-3-nitropyridine | |
| Description: | ||
| Labels: | training | |
| CAS: | 69212-31-3 | |
| InChi Code: |
Properties
MOA: Mode of action
| Value | Source or prediction |
|---|---|
| Non-narcotic |
experimental value |
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 1.72 |
experimental value |
| 1.37 |
1: Aromatic compounds (Training) |