Molecule ID: mol1651
SMILES: COc1ccc(Cl)cc1N
InChI: InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.47 | AttenGpKa training set | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |
| 3.56 | Hunt | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |