Molecule ID: mol2064
SMILES: CN(C)c1cccc(C#N)c1
InChI: InChI=1S/C9H10N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | IUPAC digitized pKa | 1 » 0 |
| 2.97 | Hunt | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | QSARToolbox | 1 » 0 |
| 2.97 | Datawarrior | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | AttenGpKa training set | 1 » 0 |
| 2.97 | QSARToolbox | 1 » 0 |