Molecule ID: mol4880
SMILES: O=Cc1ncnc2nc[nH]c12
InChI: InChI=1S/C6H4N4O/c11-1-4-5-6(9-2-7-4)10-3-8-5/h1-3H,(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | Datawarrior | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 8.80 | IUPAC digitized pKa | 0 » -1 |
| 8.80 | Datawarrior | 0 » -1 |
| 8.80 | OCHEM | 0 » -1 |