Molecule ID: mol4849
SMILES: Nc1nc2ncncc2[nH]1
InChI: InChI=1S/C5H5N5/c6-5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H3,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.68 | OCHEM | 1 » 0 |
| 4.68 | QSARToolbox | 1 » 0 |
| 4.68 | Datawarrior | 1 » 0 |
| 4.68 | AttenGpKa training set | 1 » 0 |
| 9.36 | QSARToolbox | 0 » -1 |
| 9.36 | OCHEM | 0 » -1 |
| 9.36 | Datawarrior | 0 » -1 |
| 9.36 | AttenGpKa training set | 0 » -1 |
| 9.38 | IUPAC digitized pKa | 0 » -1 |