Molecule ID: mol10850
SMILES: O=C(O)C(C(=O)O)c1ccccc1
InChI: InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.52 | QSARToolbox | 0 » -1 |
| 2.52 | IUPAC digitized pKa | 0 » -1 |
| 2.52 | AttenGpKa training set | 0 » -1 |
| 2.56 | QSARToolbox | 0 » -1 |
| 2.56 | QSARToolbox | 0 » -1 |
| 2.58 | QSARToolbox | 0 » -1 |
| 2.58 | QSARToolbox | 0 » -1 |
| 2.58 | OCHEM | 0 » -1 |
| 2.58 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 3.02 | IUPAC digitized pKa | 0 » -1 |
| 5.03 | QSARToolbox | -1 » -2 |
| 5.30 | QSARToolbox | -1 » -2 |
| 5.59 | IUPAC digitized pKa | -1 » -2 |
| 5.59 | AttenGpKa training set | -1 » -2 |
| 5.59 | QSARToolbox | -1 » -2 |
| 5.96 | IUPAC digitized pKa | -1 » -2 |