Molecule ID: mol4755
SMILES: Nc1cnc2c(N)ncnc2n1
InChI: InChI=1S/C6H6N6/c7-3-1-9-4-5(8)10-2-11-6(4)12-3/h1-2H,(H4,7,8,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 4.97 | QSARToolbox | 1 » 0 |
| 4.97 | AttenGpKa training set | 1 » 0 |
| 4.97 | AttenGpKa training set | 1 » 0 |