Molecule ID: mol12764
SMILES: NC1=N[C@H]2C[C@@H](N1)N[C@@H]2C(=O)O
InChI: InChI=1S/C6H10N4O2/c7-6-8-2-1-3(10-6)9-4(2)5(11)12/h2-4,9H,1H2,(H,11,12)(H3,7,8,10)/t2-,3+,4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | Datawarrior | 2 » 1 |
| 5.50 | Datawarrior | 1 » 0 |
| 12.60 | Datawarrior | -1 » -2 |