Molecule ID: mol1196
SMILES: Nc1ccc2ccc(Cl)cc2c1
InChI: InChI=1S/C10H8ClN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | IUPAC digitized pKa | 1 » 0 |
| 3.71 | Hunt | 1 » 0 |
| 3.71 | OCHEM | 1 » 0 |
| 3.71 | AttenGpKa training set | 1 » 0 |
| 3.71 | QSARToolbox | 1 » 0 |