Molecule ID: mol1666
SMILES: Nc1c(Cl)cccc1Cl
InChI: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.26 | AttenGpKa training set | 1 » 0 |
| 0.42 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.42 | QSARToolbox | 1 » 0 |
| 0.42 | IUPAC digitized pKa | 1 » 0 |
| 0.42 | OCHEM | 1 » 0 |
| 0.42 | OCHEM | 1 » 0 |
| 0.42 | Hunt | 1 » 0 |
| 0.42 | OCHEM | 1 » 0 |
| 0.42 | OCHEM | 1 » 0 |