Molecule ID: mol6407
SMILES: Nc1ccc(Cl)nc1N
InChI: InChI=1S/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.91 | QSARToolbox | 2 » 1 |
| 3.02 | IUPAC digitized pKa | 1 » 0 |
| 3.02 | OCHEM | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |