Molecule ID: mol12427
SMILES: CC(N)c1nnn[nH]1
InChI: InChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.63 | Datawarrior | 1 » 0 |
| 2.63 | OCHEM | 1 » 0 |
| 2.63 | QSARToolbox | 1 » 0 |
| 8.77 | Datawarrior | 0 » -1 |