Molecule ID: mol1587
SMILES: Nc1cc(Cl)ccn1
InChI: InChI=1S/C5H5ClN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | Hunt | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |