Molecule ID: mol9614
SMILES: Oc1cc(Br)cc(Br)c1
InChI: InChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | IUPAC digitized pKa | 0 » -1 |
| 7.85 | IUPAC digitized pKa | 0 » -1 |
| 7.89 | IUPAC digitized pKa | 0 » -1 |
| 7.94 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.01 | Datawarrior | 0 » -1 |
| 8.01 | OCHEM | 0 » -1 |
| 8.06 | IUPAC digitized pKa | 0 » -1 |
| 8.06 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | OCHEM | 0 » -1 |
| 8.06 | AttenGpKa training set | 0 » -1 |
| 8.06 | QSARToolbox | 0 » -1 |
| 8.13 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.28 | IUPAC digitized pKa | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |