Molecule ID: mol9615
SMILES: Oc1cc(I)cc(I)c1
InChI: InChI=1S/C6H4I2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | IUPAC digitized pKa | 0 » -1 |
| 7.89 | IUPAC digitized pKa | 0 » -1 |
| 7.93 | IUPAC digitized pKa | 0 » -1 |
| 7.98 | IUPAC digitized pKa | 0 » -1 |
| 8.04 | IUPAC digitized pKa | 0 » -1 |
| 8.10 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.10 | OCHEM | 0 » -1 |
| 8.10 | OCHEM | 0 » -1 |
| 8.10 | OCHEM | 0 » -1 |
| 8.10 | AttenGpKa training set | 0 » -1 |
| 8.10 | QSARToolbox | 0 » -1 |
| 8.10 | QSARToolbox | 0 » -1 |
| 8.10 | IUPAC digitized pKa | 0 » -1 |
| 8.18 | IUPAC digitized pKa | 0 » -1 |
| 8.25 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.43 | IUPAC digitized pKa | 0 » -1 |