Molecule ID: mol33050
SMILES: O=C(O)CC(c1ccccc1)C(CC(=O)O)c1ccccc1
InChI: InChI=1S/C18H18O4/c19-17(20)11-15(13-7-3-1-4-8-13)16(12-18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | QSARToolbox | 0 » -1 |
| 4.55 | OCHEM | 0 » -1 |
| 4.55 | OCHEM | 0 » -1 |
| 5.19 | QSARToolbox | 0 » -1 |