Molecule ID: mol2246
SMILES: O=C(O)c1ccc(O)cc1
InChI: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.32 | OCHEM | 0 » -1 |
| 4.36 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.50 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.53 | IUPAC digitized pKa | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |
| 4.54 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | Hunt | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.57 | Datawarrior | 0 » -1 |
| 4.57 | Baltruschat ChEMBL | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |
| 4.57 | OCHEM | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | QSARToolbox | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | QSARToolbox | 0 » -1 |
| 4.67 | AttenGpKa training set | 0 » -1 |
| 4.67 | IUPAC digitized pKa | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 8.94 | OCHEM | -1 » -2 |
| 8.99 | QSARToolbox | -1 » -2 |
| 8.99 | IUPAC digitized pKa | -1 » -2 |
| 9.02 | IUPAC digitized pKa | -1 » -2 |
| 9.11 | QSARToolbox | -1 » -2 |
| 9.11 | IUPAC digitized pKa | -1 » -2 |
| 9.14 | QSARToolbox | -1 » -2 |
| 9.30 | QSARToolbox | -1 » -2 |
| 9.32 | QSARToolbox | -1 » -2 |
| 9.32 | QSARToolbox | -1 » -2 |
| 9.32 | IUPAC digitized pKa | -1 » -2 |
| 9.35 | Datawarrior | -1 » -2 |
| 9.37 | QSARToolbox | -1 » -2 |
| 9.37 | IUPAC digitized pKa | -1 » -2 |
| 9.38 | AttenGpKa training set | -1 » -2 |
| 9.39 | IUPAC digitized pKa | -1 » -2 |
| 9.39 | IUPAC digitized pKa | -1 » -2 |
| 9.39 | QSARToolbox | -1 » -2 |
| 9.39 | QSARToolbox | -1 » -2 |
| 9.39 | QSARToolbox | -1 » -2 |
| 9.40 | QSARToolbox | -1 » -2 |
| 9.40 | QSARToolbox | -1 » -2 |
| 9.40 | OCHEM | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |