Molecule ID: mol4844
SMILES: Nc1nc2ncnc(N)c2nc1N
InChI: InChI=1S/C6H7N7/c7-3-2-6(11-1-10-3)13-5(9)4(8)12-2/h1H,(H2,8,12)(H4,7,9,10,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | AttenGpKa training set | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |