Molecule ID: mol1193
SMILES: Nc1cccc2cc(Cl)ccc12
InChI: InChI=1S/C10H8ClN/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/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 |