Molecule ID: mol4754
SMILES: Nc1cnc2ncnc(N)c2n1
InChI: InChI=1S/C6H6N6/c7-3-1-9-6-4(12-3)5(8)10-2-11-6/h1-2H,(H2,7,12)(H2,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.33 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | AttenGpKa training set | 1 » 0 |