Molecule ID: mol5616
SMILES: O=C(O)c1cccc(I)c1
InChI: InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | Baltruschat ChEMBL | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | Datawarrior | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | AttenGpKa training set | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | Baltruschat ChEMBL | 0 » -1 |