Molecule ID: mol4391
SMILES: Cc1ccc2nccc(Cl)c2c1
InChI: InChI=1S/C10H8ClN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | IUPAC digitized pKa | 1 » 0 |
| 3.96 | OCHEM | 1 » 0 |
| 3.96 | AttenGpKa training set | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |