Molecule ID: mol22594
SMILES: O=C(O)CC(C(=O)O)c1ccccc1
InChI: InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | AttenGpKa training set | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 4.08 | OCHEM | 0 » -1 |
| 5.55 | AttenGpKa training set | -1 » -2 |
| 5.55 | QSARToolbox | -1 » -2 |
| 5.55 | QSARToolbox | -1 » -2 |
| 5.55 | QSARToolbox | -1 » -2 |