Molecule ID: mol2536
SMILES: Nc1cccc(Cl)c1Cl
InChI: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.71 | QSARToolbox | 1 » 0 |
| 1.74 | OCHEM | 1 » 0 |
| 1.76 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.76 | IUPAC digitized pKa | 1 » 0 |
| 1.76 | OCHEM | 1 » 0 |
| 1.76 | OCHEM | 1 » 0 |
| 1.76 | Hunt | 1 » 0 |
| 1.76 | OCHEM | 1 » 0 |
| 1.76 | QSARToolbox | 1 » 0 |
| 1.80 | AttenGpKa training set | 1 » 0 |