Molecule ID: mol13260
SMILES: CC(C#N)(CC(=O)O)c1ccccc1
InChI: InChI=1S/C11H11NO2/c1-11(8-12,7-10(13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | Datawarrior | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | AttenGpKa training set | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |