Molecule ID: mol1414
SMILES: Oc1ccccc1I
InChI: InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.31 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | Datawarrior | 0 » -1 |
| 8.42 | IUPAC digitized pKa | 0 » -1 |
| 8.44 | QSARToolbox | 0 » -1 |
| 8.44 | IUPAC digitized pKa | 0 » -1 |
| 8.46 | OCHEM | 0 » -1 |
| 8.46 | OCHEM | 0 » -1 |
| 8.46 | Hunt | 0 » -1 |
| 8.46 | OCHEM | 0 » -1 |
| 8.46 | QSARToolbox | 0 » -1 |
| 8.46 | IUPAC digitized pKa | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |
| 8.51 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.51 | OCHEM | 0 » -1 |
| 8.51 | QSARToolbox | 0 » -1 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |
| 8.51 | OCHEM | 0 » -1 |
| 8.51 | OCHEM | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.63 | IUPAC digitized pKa | 0 » -1 |
| 8.69 | IUPAC digitized pKa | 0 » -1 |
| 8.77 | IUPAC digitized pKa | 0 » -1 |