Molecule ID: mol4927
SMILES: Cc1n[nH]c2ncnc(N)c12
InChI: InChI=1S/C6H7N5/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H3,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | IUPAC digitized pKa | 1 » 0 |
| 4.61 | Datawarrior | 1 » 0 |
| 4.61 | OCHEM | 1 » 0 |
| 4.61 | QSARToolbox | 1 » 0 |
| 11.11 | Datawarrior | 0 » -1 |
| 11.11 | OCHEM | 0 » -1 |
| 11.15 | IUPAC digitized pKa | 0 » -1 |