Molecule ID: mol10045
SMILES: O=C(O)c1cc(Br)cc(Br)c1O
InChI: InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | IUPAC digitized pKa | 0 » -1 |
| 2.12 | IUPAC digitized pKa | 0 » -1 |
| 2.13 | IUPAC digitized pKa | 0 » -1 |
| 2.14 | IUPAC digitized pKa | 0 » -1 |
| 2.15 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.16 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | OCHEM | 0 » -1 |
| 2.18 | IUPAC digitized pKa | 0 » -1 |
| 2.26 | OCHEM | 0 » -1 |
| 2.26 | Baltruschat ChEMBL | 0 » -1 |
| 2.55 | AttenGpKa training set | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 5.54 | OCHEM | 0 » -1 |
| 5.54 | Baltruschat ChEMBL | 0 » -1 |
| 10.43 | AttenGpKa training set | -1 » -2 |
| 10.50 | QSARToolbox | -1 » -2 |
| 11.20 | QSARToolbox | -1 » -2 |