Molecule ID: mol4590
SMILES: Nc1nncc2ccccc12
InChI: InChI=1S/C8H7N3/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H2,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.57 | IUPAC digitized pKa | 1 » 0 |
| 6.60 | OCHEM | 1 » 0 |
| 6.60 | QSARToolbox | 1 » 0 |
| 6.60 | Datawarrior | 1 » 0 |
| 6.60 | AttenGpKa training set | 1 » 0 |