Molecule ID: mol3651
SMILES: Clc1cccnc1
InChI: InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.48 | OCHEM | 1 » 0 |
| 2.48 | OCHEM | 1 » 0 |
| 2.77 | Datawarrior | 1 » 0 |
| 2.77 | OCHEM | 1 » 0 |
| 2.81 | IUPAC digitized pKa | 1 » 0 |
| 2.84 | IUPAC digitized pKa | 1 » 0 |
| 2.84 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.84 | OCHEM | 1 » 0 |
| 2.84 | OCHEM | 1 » 0 |
| 2.84 | OCHEM | 1 » 0 |
| 2.84 | AttenGpKa training set | 1 » 0 |