Molecule ID: mol14325
SMILES: CC(C)(C(=O)O)C(C#N)c1ccccc1
InChI: InChI=1S/C12H13NO2/c1-12(2,11(14)15)10(8-13)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | Datawarrior | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | AttenGpKa training set | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |