Molecule ID: mol3750
SMILES: CNc1ccncc1
InChI: InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.27 | IUPAC digitized pKa | 1 » 0 |
| 9.65 | IUPAC digitized pKa | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 10.10 | IUPAC digitized pKa | 1 » 0 |