Molecule ID: mol4559
SMILES: Nc1cccc2ccnnc12
InChI: InChI=1S/C8H7N3/c9-7-3-1-2-6-4-5-10-11-8(6)7/h1-5H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | Datawarrior | 1 » 0 |
| 3.68 | AttenGpKa training set | 1 » 0 |
| 3.68 | QSARToolbox | 1 » 0 |
| 3.68 | OCHEM | 1 » 0 |