Molecule ID: mol4921
SMILES: Nc1ncnc2[nH]ncc12
InChI: InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | IUPAC digitized pKa | 1 » 0 |
| 4.59 | Datawarrior | 1 » 0 |
| 4.59 | QSARToolbox | 1 » 0 |
| 4.59 | OCHEM | 1 » 0 |
| 10.84 | Datawarrior | 0 » -1 |
| 10.84 | OCHEM | 0 » -1 |
| 10.88 | IUPAC digitized pKa | 0 » -1 |