Molecule ID: mol21695
SMILES: O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChI: InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | QSARToolbox | 0 » -1 |
| 9.52 | AttenGpKa training set | 0 » -1 |
| 9.64 | QSARToolbox | 0 » -1 |
| 9.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |