Molecule ID: mol4668
SMILES: Nc1nc2ccccc2nc1N
InChI: InChI=1S/C8H8N4/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,9,11)(H2,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |
| 4.70 | Datawarrior | 1 » 0 |
| 4.70 | AttenGpKa training set | 1 » 0 |