Molecule ID: mol4926
SMILES: Cc1nc(N)c2cn[nH]c2n1
InChI: InChI=1S/C6H7N5/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H3,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.37 | IUPAC digitized pKa | 1 » 0 |
| 5.41 | OCHEM | 1 » 0 |
| 5.41 | QSARToolbox | 1 » 0 |
| 5.41 | Datawarrior | 1 » 0 |
| 11.30 | Datawarrior | 0 » -1 |
| 11.30 | OCHEM | 0 » -1 |
| 11.34 | IUPAC digitized pKa | 0 » -1 |