Molecule ID: mol4859
SMILES: N#Cc1ncnc2nc[nH]c12
InChI: InChI=1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.30 | IUPAC digitized pKa | 1 » 0 |
| 6.88 | IUPAC digitized pKa | 0 » -1 |
| 6.88 | Datawarrior | 0 » -1 |
| 6.88 | OCHEM | 0 » -1 |