Molecule ID: mol4228
SMILES: Nc1cc(N)nc(N)n1
InChI: InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.07 | IUPAC digitized pKa | 2 » 1 |
| 1.31 | QSARToolbox | 2 » 1 |
| 1.72 | QSARToolbox | 2 » 1 |
| 6.50 | OCHEM | 1 » 0 |
| 6.72 | QSARToolbox | 1 » 0 |
| 6.72 | IUPAC digitized pKa | 1 » 0 |
| 6.72 | AttenGpKa training set | 1 » 0 |
| 6.81 | QSARToolbox | 1 » 0 |
| 6.81 | IUPAC digitized pKa | 1 » 0 |
| 6.81 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.81 | OCHEM | 1 » 0 |
| 6.81 | OCHEM | 1 » 0 |
| 6.84 | QSARToolbox | 1 » 0 |
| 7.18 | IUPAC digitized pKa | 1 » 0 |