Molecule ID: mol22650
SMILES: O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C16H14O4/c17-14(18)11-16(15(19)20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | AttenGpKa training set | 0 » -1 |
| 3.35 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 7.30 | AttenGpKa training set | -1 » -2 |
| 7.30 | QSARToolbox | -1 » -2 |