Molecule ID: mol12708
SMILES: O=C(O)CNCCc1nnn[nH]1
InChI: InChI=1S/C5H9N5O2/c11-5(12)3-6-2-1-4-7-9-10-8-4/h6H,1-3H2,(H,11,12)(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 0 » -1 |
| 4.32 | Datawarrior | 0 » -1 |
| 4.32 | QSARToolbox | 0 » -1 |
| 9.23 | OCHEM | -1 » -2 |
| 9.23 | Datawarrior | -1 » -2 |