Molecule ID: mol4602
SMILES: Nc1cccc2ncncc12
InChI: InChI=1S/C8H7N3/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |
| 3.57 | OCHEM | 1 » 0 |
| 3.57 | QSARToolbox | 1 » 0 |
| 3.57 | Datawarrior | 1 » 0 |
| 3.57 | AttenGpKa training set | 1 » 0 |