Molecule ID: mol14465
SMILES: CC(=O)C(Cc1ccc(C#N)cc1)C(C)=O
InChI: InChI=1S/C13H13NO2/c1-9(15)13(10(2)16)7-11-3-5-12(8-14)6-4-11/h3-6,13H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.69 | QSARToolbox | 0 » -1 |
| 9.69 | QSARToolbox | 0 » -1 |
| 9.69 | OCHEM | 0 » -1 |
| 9.69 | Datawarrior | 0 » -1 |