Molecule ID: mol13259
SMILES: CC(C(=O)O)C(C#N)c1ccccc1
InChI: InChI=1S/C11H11NO2/c1-8(11(13)14)10(7-12)9-5-3-2-4-6-9/h2-6,8,10H,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Datawarrior | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | AttenGpKa training set | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |