Molecule ID: mol6429
SMILES: Clc1cncc(Cl)c1
InChI: InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.55 | Datawarrior | 1 » 0 |
| 0.55 | OCHEM | 1 » 0 |
| 0.59 | AttenGpKa training set | 1 » 0 |
| 0.67 | IUPAC digitized pKa | 1 » 0 |
| 0.67 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.67 | OCHEM | 1 » 0 |
| 0.67 | OCHEM | 1 » 0 |
| 0.67 | QSARToolbox | 1 » 0 |
| 0.71 | OCHEM | 1 » 0 |
| 0.75 | IUPAC digitized pKa | 1 » 0 |
| 0.75 | QSARToolbox | 1 » 0 |