Molecule ID: mol8546
SMILES: NNC(=O)[C@@H](N)Cc1cnc[nH]1
InChI: InChI=1S/C6H11N5O/c7-5(6(12)11-8)1-4-2-9-3-10-4/h2-3,5H,1,7-8H2,(H,9,10)(H,11,12)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | IUPAC digitized pKa | 2 » 1 |
| 7.58 | IUPAC digitized pKa | 1 » 0 |
| 11.12 | IUPAC digitized pKa | 0 » -1 |