Molecule ID: mol19922
SMILES: Clc1ncc[nH]1
InChI: InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | AttenGpKa training set | 1 » 0 |
| 3.55 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |
| 3.55 | Baltruschat ChEMBL | 1 » 0 |
| 3.55 | Baltruschat ChEMBL | 1 » 0 |