Molecule ID: mol5600
SMILES: O=C(O)c1ccccc1C(=O)O
InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.36 | QSARToolbox | 0 » -1 |
| 2.36 | QSARToolbox | 0 » -1 |
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.70 | OCHEM | 0 » -1 |
| 2.76 | QSARToolbox | 0 » -1 |
| 2.76 | QSARToolbox | 0 » -1 |
| 2.76 | QSARToolbox | 0 » -1 |
| 2.76 | IUPAC digitized pKa | 0 » -1 |
| 2.76 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.77 | QSARToolbox | 0 » -1 |
| 2.77 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.94 | QSARToolbox | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | Baltruschat ChEMBL | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.97 | IUPAC digitized pKa | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.05 | IUPAC digitized pKa | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.30 | OCHEM | -1 » -2 |
| 4.61 | QSARToolbox | -1 » -2 |
| 4.73 | IUPAC digitized pKa | -1 » -2 |
| 4.84 | OCHEM | -1 » -2 |
| 4.89 | IUPAC digitized pKa | -1 » -2 |
| 4.92 | IUPAC digitized pKa | -1 » -2 |
| 4.92 | QSARToolbox | -1 » -2 |
| 4.92 | QSARToolbox | -1 » -2 |
| 5.25 | QSARToolbox | -1 » -2 |
| 5.25 | QSARToolbox | -1 » -2 |
| 5.30 | QSARToolbox | -1 » -2 |
| 5.30 | QSARToolbox | -1 » -2 |
| 5.34 | QSARToolbox | -1 » -2 |
| 5.34 | QSARToolbox | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |
| 5.41 | OCHEM | -1 » -2 |
| 5.41 | OCHEM | -1 » -2 |
| 5.41 | QSARToolbox | -1 » -2 |
| 5.41 | QSARToolbox | -1 » -2 |
| 5.41 | QSARToolbox | -1 » -2 |
| 5.43 | QSARToolbox | -1 » -2 |
| 5.43 | IUPAC digitized pKa | -1 » -2 |
| 5.54 | QSARToolbox | -1 » -2 |
| 5.54 | QSARToolbox | -1 » -2 |