Molecule ID: mol1411
SMILES: Oc1ccc(Br)cc1
InChI: InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.95 | IUPAC digitized pKa | 0 » -1 |
| 8.97 | IUPAC digitized pKa | 0 » -1 |
| 9.02 | IUPAC digitized pKa | 0 » -1 |
| 9.06 | IUPAC digitized pKa | 0 » -1 |
| 9.07 | IUPAC digitized pKa | 0 » -1 |
| 9.13 | Baltruschat ChEMBL | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.17 | IUPAC digitized pKa | 0 » -1 |
| 9.17 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.24 | IUPAC digitized pKa | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.27 | QSARToolbox | 0 » -1 |
| 9.27 | QSARToolbox | 0 » -1 |
| 9.28 | QSARToolbox | 0 » -1 |
| 9.28 | QSARToolbox | 0 » -1 |
| 9.29 | Datawarrior | 0 » -1 |
| 9.29 | OCHEM | 0 » -1 |
| 9.30 | Baltruschat ChEMBL | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | Hunt | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.35 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | QSARToolbox | 0 » -1 |
| 9.36 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | OCHEM | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.37 | QSARToolbox | 0 » -1 |
| 9.37 | QSARToolbox | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |
| 9.64 | IUPAC digitized pKa | 0 » -1 |
| 9.94 | IUPAC digitized pKa | 0 » -1 |
| 10.40 | QSARToolbox | 0 » -1 |