Molecule ID: mol4300
SMILES: CC(C)n1nnnc1N
InChI: InChI=1S/C4H9N5/c1-3(2)9-4(5)6-7-8-9/h3H,1-2H3,(H2,5,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.91 | QSARToolbox | 1 » 0 |
| 1.91 | Datawarrior | 1 » 0 |
| 1.91 | OCHEM | 1 » 0 |
| 1.91 | AttenGpKa training set | 1 » 0 |