Molecule ID: mol10400
SMILES: O=C(O)C(O)c1ccccc1
InChI: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.77 | QSARToolbox | 0 » -1 |
| 1.46 | QSARToolbox | 0 » -1 |
| 2.91 | IUPAC digitized pKa | 0 » -1 |
| 3.14 | IUPAC digitized pKa | 0 » -1 |
| 3.19 | IUPAC digitized pKa | 0 » -1 |
| 3.19 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.34 | OCHEM | 0 » -1 |
| 3.34 | Datawarrior | 0 » -1 |
| 3.37 | QSARToolbox | 0 » -1 |
| 3.39 | QSARToolbox | 0 » -1 |
| 3.39 | QSARToolbox | 0 » -1 |
| 3.39 | QSARToolbox | 0 » -1 |
| 3.40 | OCHEM | 0 » -1 |
| 3.41 | Datawarrior | 0 » -1 |
| 3.41 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 3.45 | QSARToolbox | 0 » -1 |
| 16.39 | IUPAC digitized pKa | -1 » -2 |
| 16.40 | OCHEM | -1 » -2 |