Molecule ID: mol4267
SMILES: Nc1ncnc(N)n1
InChI: InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | OCHEM | 1 » 0 |
| 3.91 | IUPAC digitized pKa | 1 » 0 |
| 3.91 | QSARToolbox | 1 » 0 |
| 5.88 | IUPAC digitized pKa | 1 » 0 |
| 5.88 | QSARToolbox | 1 » 0 |
| 8.12 | QSARToolbox | 1 » 0 |