Molecule ID: mol8543
SMILES: NC(=O)C(N)Cc1c[nH]cn1
InChI: InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.78 | Datawarrior | 2 » 1 |
| 7.53 | IUPAC digitized pKa | 1 » 0 |
| 7.64 | OCHEM | 1 » 0 |
| 7.64 | Datawarrior | 1 » 0 |