Molecule ID: mol12854
SMILES: O=C(O)C1Cc2[nH]cnc2CN1
InChI: InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.73 | Datawarrior | 1 » 0 |
| 8.58 | OCHEM | 0 » -1 |
| 8.58 | Datawarrior | 0 » -1 |