Molecule ID: mol22661
SMILES: COC(=O)C(CC(=O)O)(Cc1ccccc1)c1ccccc1
InChI: InChI=1S/C18H18O4/c1-22-17(21)18(13-16(19)20,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |