Molecule ID: mol4901
SMILES: CNC(=O)c1ncnc2nc[nH]c12
InChI: InChI=1S/C7H7N5O/c1-8-7(13)5-4-6(11-2-9-4)12-3-10-5/h2-3H,1H3,(H,8,13)(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | IUPAC digitized pKa | 0 » -1 |
| 8.90 | Datawarrior | 0 » -1 |