Molecule ID: mol23630
SMILES: O=C(O)CCc1ccc(OCc2ccccc2)cc1
InChI: InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | QSARToolbox | 0 » -1 |
| 7.02 | QSARToolbox | 0 » -1 |