Molecule ID: mol12428
SMILES: NCCc1nnn[nH]1
InChI: InChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | Datawarrior | 1 » 0 |
| 3.99 | OCHEM | 1 » 0 |
| 3.99 | QSARToolbox | 1 » 0 |
| 9.58 | QSARToolbox | 0 » -1 |