Molecule ID: mol3723
SMILES: Ic1cccnc1
InChI: InChI=1S/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | Datawarrior | 1 » 0 |
| 3.25 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | QSARToolbox | 1 » 0 |
| 3.25 | QSARToolbox | 1 » 0 |
| 3.25 | AttenGpKa training set | 1 » 0 |