Molecule ID: mol10075
SMILES: O=C(O)c1cc(Br)ccc1O
InChI: InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | IUPAC digitized pKa | 0 » -1 |
| 2.60 | IUPAC digitized pKa | 0 » -1 |
| 2.60 | IUPAC digitized pKa | 0 » -1 |
| 2.61 | QSARToolbox | 0 » -1 |
| 2.61 | IUPAC digitized pKa | 0 » -1 |
| 2.61 | IUPAC digitized pKa | 0 » -1 |
| 2.61 | OCHEM | 0 » -1 |
| 2.61 | OCHEM | 0 » -1 |
| 2.62 | IUPAC digitized pKa | 0 » -1 |
| 2.62 | OCHEM | 0 » -1 |
| 2.62 | Baltruschat ChEMBL | 0 » -1 |
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.63 | QSARToolbox | 0 » -1 |
| 2.64 | IUPAC digitized pKa | 0 » -1 |
| 2.64 | OCHEM | 0 » -1 |
| 2.65 | AttenGpKa training set | 0 » -1 |
| 2.66 | IUPAC digitized pKa | 0 » -1 |
| 2.66 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | OCHEM | 0 » -1 |
| 2.66 | QSARToolbox | 0 » -1 |
| 2.66 | QSARToolbox | 0 » -1 |
| 2.75 | IUPAC digitized pKa | 0 » -1 |
| 2.75 | QSARToolbox | 0 » -1 |
| 5.18 | OCHEM | 0 » -1 |
| 5.18 | Baltruschat ChEMBL | 0 » -1 |
| 12.80 | IUPAC digitized pKa | -1 » -2 |
| 12.80 | OCHEM | -1 » -2 |
| 12.80 | QSARToolbox | -1 » -2 |
| 12.85 | IUPAC digitized pKa | -1 » -2 |
| 12.85 | AttenGpKa training set | -1 » -2 |
| 12.85 | QSARToolbox | -1 » -2 |