Molecule ID: mol4393
SMILES: Nc1cc(N)c2ccccc2n1
InChI: InChI=1S/C9H9N3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,(H4,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.45 | OCHEM | 1 » 0 |
| 9.45 | QSARToolbox | 1 » 0 |
| 9.45 | Datawarrior | 1 » 0 |
| 9.45 | AttenGpKa training set | 1 » 0 |