Molecule ID: mol22648
SMILES: O=C(O)C(c1ccccc1)C(C(=O)O)c1ccccc1
InChI: InChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.59 | AttenGpKa training set | 0 » -1 |
| 3.88 | OCHEM | 0 » -1 |