Molecule ID: mol23259
SMILES: O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOC2
InChI: InChI=1S/C23H36O10/c24-23(25)22-20-2-1-3-21(22)19-33-17-15-31-13-11-29-9-7-27-5-4-26-6-8-28-10-12-30-14-16-32-18-20/h1-3H,4-19H2,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | AttenGpKa training set | 0 » -1 |