Molecule ID: mol1906
SMILES: O=C(O)c1ccc(O)cc1O
InChI: InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.06 | QSARToolbox | 0 » -1 |
| 3.09 | QSARToolbox | 0 » -1 |
| 3.10 | IUPAC digitized pKa | 0 » -1 |
| 3.10 | OCHEM | 0 » -1 |
| 3.10 | Baltruschat ChEMBL | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.11 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.11 | OCHEM | 0 » -1 |
| 3.22 | OCHEM | 0 » -1 |
| 3.22 | Hunt | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |
| 3.27 | AttenGpKa training set | 0 » -1 |
| 3.29 | OCHEM | 0 » -1 |
| 3.29 | OCHEM | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | IUPAC digitized pKa | 0 » -1 |
| 3.31 | OCHEM | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 3.33 | IUPAC digitized pKa | 0 » -1 |
| 3.33 | QSARToolbox | 0 » -1 |
| 3.33 | QSARToolbox | 0 » -1 |
| 3.33 | IUPAC digitized pKa | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | Baltruschat ChEMBL | 0 » -1 |
| 8.55 | IUPAC digitized pKa | -1 » -2 |
| 8.55 | QSARToolbox | -1 » -2 |
| 8.55 | QSARToolbox | -1 » -2 |
| 8.84 | AttenGpKa training set | -1 » -2 |
| 8.91 | IUPAC digitized pKa | -1 » -2 |
| 9.12 | QSARToolbox | -1 » -2 |
| 9.12 | QSARToolbox | -1 » -2 |
| 9.12 | IUPAC digitized pKa | -1 » -2 |
| 9.12 | OCHEM | -1 » -2 |
| 14.00 | IUPAC digitized pKa | -2 » -3 |
| 14.00 | OCHEM | -2 » -3 |
| 14.00 | QSARToolbox | -2 » -3 |
| 14.04 | AttenGpKa training set | -2 » -3 |
| 15.60 | IUPAC digitized pKa | -2 » -3 |
| 15.60 | QSARToolbox | -2 » -3 |
| 15.60 | QSARToolbox | -2 » -3 |