Molecule ID: mol1650
SMILES: Nc1ccc(F)c(Cl)c1
InChI: InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |
| 3.66 | Hunt | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |
| 3.66 | AttenGpKa training set | 1 » 0 |
| 3.66 | QSARToolbox | 1 » 0 |