Molecule ID: mol4510
SMILES: CCn1cnc2ccccc21
InChI: InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | IUPAC digitized pKa | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |
| 5.62 | QSARToolbox | 1 » 0 |
| 5.62 | AttenGpKa training set | 1 » 0 |
| 5.66 | OCHEM | 1 » 0 |
| 5.66 | Datawarrior | 1 » 0 |
| 5.67 | IUPAC digitized pKa | 1 » 0 |
| 5.71 | QSARToolbox | 1 » 0 |