Molecule ID: mol4913
SMILES: NC(=O)Nc1ncnc2nc[nH]c12
InChI: InChI=1S/C6H6N6O/c7-6(13)12-5-3-4(9-1-8-3)10-2-11-5/h1-2H,(H4,7,8,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | Datawarrior | 1 » 0 |
| 9.95 | OCHEM | 0 » -1 |
| 9.95 | IUPAC digitized pKa | 0 » -1 |
| 9.95 | Datawarrior | 0 » -1 |