Molecule ID: mol4306
SMILES: CCCn1nnnc1N
InChI: InChI=1S/C4H9N5/c1-2-3-9-4(5)6-7-8-9/h2-3H2,1H3,(H2,5,6,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 1 » 0 |
| 1.80 | Datawarrior | 1 » 0 |
| 1.80 | OCHEM | 1 » 0 |
| 1.80 | AttenGpKa training set | 1 » 0 |