Molecule ID: mol13074
SMILES: O/N=C/c1ccc(Cl)cc1
InChI: InChI=1S/C7H6ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.39 | QSARToolbox | 0 » -1 |
| 10.39 | QSARToolbox | 0 » -1 |
| 10.54 | Datawarrior | 0 » -1 |
| 10.59 | AttenGpKa training set | 0 » -1 |
| 10.66 | QSARToolbox | 0 » -1 |
| 10.69 | QSARToolbox | 0 » -1 |