Molecule ID: mol15323
SMILES: CC(O)(c1ccccc1)C(C(=O)O)c1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C22H20O3/c1-22(25,19-10-6-3-7-11-19)20(21(23)24)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | Datawarrior | 0 » -1 |
| 3.38 | OCHEM | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |