Molecule ID: mol22665
SMILES: COC(=O)C(CC(=O)O)(Cc1ccccc1)Cc1ccccc1
InChI: InChI=1S/C19H20O4/c1-23-18(22)19(14-17(20)21,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.67 | AttenGpKa training set | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |