Molecule ID: mol4884
SMILES: N=C(NO)c1ncnc2nc[nH]c12
InChI: InChI=1S/C6H6N6O/c7-5(12-13)3-4-6(10-1-8-3)11-2-9-4/h1-2,13H,(H2,7,12)(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 9.40 | OCHEM | 0 » -1 |
| 9.40 | IUPAC digitized pKa | 0 » -1 |
| 9.40 | Datawarrior | 0 » -1 |