Molecule ID: mol7866
SMILES: Nc1nc(N)c2ccccc2n1
InChI: InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | IUPAC digitized pKa | 1 » 0 |
| 7.96 | OCHEM | 1 » 0 |
| 7.96 | AttenGpKa training set | 1 » 0 |
| 7.96 | QSARToolbox | 1 » 0 |
| 8.12 | OCHEM | 1 » 0 |
| 8.12 | Datawarrior | 1 » 0 |