Molecule ID: mol27
SMILES: CC(=O)Oc1ccccc1C(=O)O
InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.48 | OCHEM | 0 » -1 |
| 3.48 | OCHEM | 0 » -1 |
| 3.48 | OCHEM | 0 » -1 |
| 3.48 | QSARToolbox | 0 » -1 |
| 3.49 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | Hunt | 0 » -1 |
| 3.50 | Baltruschat ChEMBL | 0 » -1 |
| 3.50 | Baltruschat ChEMBL | 0 » -1 |
| 3.50 | Baltruschat ChEMBL | 0 » -1 |
| 3.50 | Baltruschat ChEMBL | 0 » -1 |
| 3.50 | Settimo | 0 » -1 |
| 3.53 | AttenGpKa training set | 0 » -1 |
| 3.56 | QSARToolbox | 0 » -1 |
| 3.56 | QSARToolbox | 0 » -1 |
| 3.68 | OCHEM | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |