Molecule ID: mol5615
SMILES: O=C(O)c1ccccc1I
InChI: InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.86 | QSARToolbox | 0 » -1 |
| 2.86 | OCHEM | 0 » -1 |
| 2.86 | OCHEM | 0 » -1 |
| 2.91 | AttenGpKa training set | 0 » -1 |
| 2.93 | Datawarrior | 0 » -1 |
| 2.93 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |
| 2.93 | QSARToolbox | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |