Molecule ID: mol4842
SMILES: Nc1nc(N)c2nc(N)c(N)nc2n1
InChI: InChI=1S/C6H8N8/c7-2-1-5(14-6(10)13-2)12-4(9)3(8)11-1/h(H2,8,11)(H6,7,9,10,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.82 | IUPAC digitized pKa | 1 » 0 |
| 6.86 | AttenGpKa training set | 1 » 0 |
| 6.86 | QSARToolbox | 1 » 0 |