Molecule ID: mol2474
SMILES: Oc1ccccc1Br
InChI: InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | IUPAC digitized pKa | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |
| 8.27 | IUPAC digitized pKa | 0 » -1 |
| 8.29 | QSARToolbox | 0 » -1 |
| 8.31 | IUPAC digitized pKa | 0 » -1 |
| 8.33 | IUPAC digitized pKa | 0 » -1 |
| 8.35 | IUPAC digitized pKa | 0 » -1 |
| 8.39 | AttenGpKa training set | 0 » -1 |
| 8.39 | OCHEM | 0 » -1 |
| 8.39 | Hunt | 0 » -1 |
| 8.39 | QSARToolbox | 0 » -1 |
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.40 | Datawarrior | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.44 | QSARToolbox | 0 » -1 |
| 8.44 | IUPAC digitized pKa | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.63 | IUPAC digitized pKa | 0 » -1 |
| 8.71 | IUPAC digitized pKa | 0 » -1 |