Molecule ID: mol2537
SMILES: Nc1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | AttenGpKa training set | 1 » 0 |
| 2.97 | QSARToolbox | 1 » 0 |
| 2.97 | IUPAC digitized pKa | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | Hunt | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.99 | OCHEM | 1 » 0 |
| 3.00 | QSARToolbox | 1 » 0 |