Molecule ID: mol23260
SMILES: O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOC2
InChI: InChI=1S/C25H40O11/c26-25(27)24-22-2-1-3-23(24)21-36-19-17-34-15-13-32-11-9-30-7-5-28-4-6-29-8-10-31-12-14-33-16-18-35-20-22/h1-3H,4-21H2,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | AttenGpKa training set | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |