Molecule ID: mol3610
SMILES: Cc1cncc(C)c1N
InChI: InChI=1S/C7H10N2/c1-5-3-9-4-6(2)7(5)8/h3-4H,1-2H3,(H2,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.16 | IUPAC digitized pKa | 1 » 0 |
| 9.53 | QSARToolbox | 1 » 0 |
| 9.53 | IUPAC digitized pKa | 1 » 0 |
| 9.53 | OCHEM | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.54 | OCHEM | 1 » 0 |
| 9.95 | IUPAC digitized pKa | 1 » 0 |