Molecule ID: mol5614
SMILES: O=C(O)c1cccc(O)c1
InChI: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 0 » -1 |
| 1.00 | QSARToolbox | 0 » -1 |
| 3.74 | Baltruschat ChEMBL | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 3.96 | IUPAC digitized pKa | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.02 | OCHEM | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.06 | QSARToolbox | 0 » -1 |
| 4.06 | Baltruschat ChEMBL | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 4.08 | Baltruschat ChEMBL | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.19 | AttenGpKa training set | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.61 | QSARToolbox | -1 » -2 |
| 9.61 | QSARToolbox | -1 » -2 |
| 9.61 | IUPAC digitized pKa | -1 » -2 |
| 9.73 | IUPAC digitized pKa | -1 » -2 |
| 9.74 | QSARToolbox | -1 » -2 |
| 9.74 | QSARToolbox | -1 » -2 |
| 9.78 | QSARToolbox | -1 » -2 |
| 9.78 | QSARToolbox | -1 » -2 |
| 9.90 | QSARToolbox | -1 » -2 |
| 9.90 | QSARToolbox | -1 » -2 |
| 9.90 | OCHEM | -1 » -2 |
| 9.92 | QSARToolbox | -1 » -2 |
| 9.93 | QSARToolbox | -1 » -2 |
| 9.93 | QSARToolbox | -1 » -2 |
| 9.94 | QSARToolbox | -1 » -2 |
| 9.94 | QSARToolbox | -1 » -2 |
| 9.94 | QSARToolbox | -1 » -2 |
| 9.98 | IUPAC digitized pKa | -1 » -2 |
| 10.01 | AttenGpKa training set | -1 » -2 |
| 10.25 | IUPAC digitized pKa | -1 » -2 |