Molecule ID: mol3333
SMILES: CN(C)c1ccc(C#N)cc1
InChI: InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | QSARToolbox | 1 » 0 |
| 1.78 | IUPAC digitized pKa | 1 » 0 |
| 1.78 | OCHEM | 1 » 0 |
| 1.78 | QSARToolbox | 1 » 0 |
| 1.78 | Datawarrior | 1 » 0 |
| 1.78 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.78 | OCHEM | 1 » 0 |
| 1.78 | AttenGpKa training set | 1 » 0 |