Molecule ID: mol3616
SMILES: Cc1cnccc1N
InChI: InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | Datawarrior | 1 » 0 |
| 9.43 | OCHEM | 1 » 0 |
| 9.43 | OCHEM | 1 » 0 |
| 9.45 | QSARToolbox | 1 » 0 |
| 9.45 | IUPAC digitized pKa | 1 » 0 |
| 9.45 | OCHEM | 1 » 0 |
| 9.88 | IUPAC digitized pKa | 1 » 0 |