Molecule ID: mol4898
SMILES: Cc1nc2ncncc2[nH]1
InChI: InChI=1S/C6H6N4/c1-4-9-5-2-7-3-8-6(5)10-4/h2-3H,1H3,(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.76 | IUPAC digitized pKa | 1 » 0 |
| 2.85 | OCHEM | 1 » 0 |
| 2.85 | QSARToolbox | 1 » 0 |
| 2.85 | Datawarrior | 1 » 0 |
| 2.85 | AttenGpKa training set | 1 » 0 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | Datawarrior | 0 » -1 |
| 9.37 | AttenGpKa training set | 0 » -1 |
| 9.40 | IUPAC digitized pKa | 0 » -1 |