Molecule ID: mol3722
SMILES: Ic1ccccn1
InChI: InChI=1S/C5H4IN/c6-5-3-1-2-4-7-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.82 | Datawarrior | 1 » 0 |
| 1.82 | OCHEM | 1 » 0 |
| 1.82 | OCHEM | 1 » 0 |
| 1.82 | OCHEM | 1 » 0 |
| 1.82 | OCHEM | 1 » 0 |
| 1.82 | Baltruschat ChEMBL | 1 » 0 |
| 1.82 | AttenGpKa training set | 1 » 0 |
| 1.82 | QSARToolbox | 1 » 0 |
| 1.82 | QSARToolbox | 1 » 0 |
| 1.82 | OCHEM | 1 » 0 |