Molecule ID: mol23255
SMILES: O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOC2
InChI: InChI=1S/C19H28O8/c20-19(21)18-16-2-1-3-17(18)15-27-13-11-25-9-7-23-5-4-22-6-8-24-10-12-26-14-16/h1-3H,4-15H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | AttenGpKa training set | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |