Molecule ID: mol2156
SMILES: Oc1cccc(I)c1
InChI: InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.74 | QSARToolbox | 0 » -1 |
| 8.74 | IUPAC digitized pKa | 0 » -1 |
| 8.74 | IUPAC digitized pKa | 0 » -1 |
| 8.79 | IUPAC digitized pKa | 0 » -1 |
| 8.85 | IUPAC digitized pKa | 0 » -1 |
| 8.88 | OCHEM | 0 » -1 |
| 8.88 | OCHEM | 0 » -1 |
| 8.88 | Hunt | 0 » -1 |
| 8.88 | OCHEM | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |
| 8.91 | IUPAC digitized pKa | 0 » -1 |
| 8.97 | IUPAC digitized pKa | 0 » -1 |
| 9.02 | Datawarrior | 0 » -1 |
| 9.02 | OCHEM | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.03 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.03 | IUPAC digitized pKa | 0 » -1 |
| 9.03 | OCHEM | 0 » -1 |
| 9.03 | OCHEM | 0 » -1 |
| 9.03 | OCHEM | 0 » -1 |
| 9.05 | OCHEM | 0 » -1 |
| 9.06 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | AttenGpKa training set | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.18 | IUPAC digitized pKa | 0 » -1 |
| 9.26 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |