Molecule ID: mol4274
SMILES: Nc1nc(N)nc(Nc2ccccc2)n1
InChI: InChI=1S/C9H10N6/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.65 | IUPAC digitized pKa | 1 » 0 |
| 4.65 | Datawarrior | 1 » 0 |
| 4.65 | AttenGpKa training set | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |
| 9.32 | QSARToolbox | 1 » 0 |
| 9.35 | QSARToolbox | 1 » 0 |