Molecule ID: mol4583
SMILES: Nc1cccc2cn[nH]c12
InChI: InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.02 | IUPAC digitized pKa | 1 » 0 |
| 3.05 | Datawarrior | 1 » 0 |
| 3.05 | OCHEM | 1 » 0 |
| 3.05 | AttenGpKa training set | 1 » 0 |
| 3.09 | OCHEM | 1 » 0 |