Molecule ID: mol13671
SMILES: Nc1ncnc(N)c1N
InChI: InChI=1S/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.41 | QSARToolbox | 1 » 0 |
| 1.47 | Datawarrior | 1 » 0 |
| 1.47 | AttenGpKa training set | 1 » 0 |
| 5.75 | QSARToolbox | 1 » 0 |
| 5.78 | Datawarrior | 1 » 0 |
| 5.78 | AttenGpKa training set | 1 » 0 |
| 5.78 | OCHEM | 1 » 0 |