Molecule ID: mol1194
SMILES: Nc1cccc2ccc(Cl)cc12
InChI: InChI=1S/C10H8ClN/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.48 | IUPAC digitized pKa | 1 » 0 |
| 3.48 | Hunt | 1 » 0 |
| 3.48 | OCHEM | 1 » 0 |
| 3.48 | AttenGpKa training set | 1 » 0 |
| 3.48 | QSARToolbox | 1 » 0 |