Molecule ID: mol4580
SMILES: Nc1cccc2[nH]ncc12
InChI: InChI=1S/C7H7N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.26 | IUPAC digitized pKa | 1 » 0 |
| 3.26 | OCHEM | 1 » 0 |
| 3.29 | Datawarrior | 1 » 0 |
| 3.29 | OCHEM | 1 » 0 |
| 3.29 | AttenGpKa training set | 1 » 0 |