Molecule ID: mol3650
SMILES: Clc1ccccn1
InChI: InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.49 | IUPAC digitized pKa | 1 » 0 |
| 0.49 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.49 | OCHEM | 1 » 0 |
| 0.49 | OCHEM | 1 » 0 |
| 0.49 | OCHEM | 1 » 0 |
| 0.49 | OCHEM | 1 » 0 |
| 0.49 | AttenGpKa training set | 1 » 0 |
| 0.49 | QSARToolbox | 1 » 0 |
| 0.61 | OCHEM | 1 » 0 |
| 0.72 | IUPAC digitized pKa | 1 » 0 |
| 0.72 | Datawarrior | 1 » 0 |
| 0.72 | Baltruschat ChEMBL | 1 » 0 |
| 0.72 | QSARToolbox | 1 » 0 |
| 0.72 | QSARToolbox | 1 » 0 |
| 0.72 | OCHEM | 1 » 0 |