Molecule ID: mol23269
SMILES: O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOC2
InChI: InChI=1S/C21H32O9/c22-21(23)20-18-2-1-3-19(20)17-30-15-13-28-11-9-26-7-5-24-4-6-25-8-10-27-12-14-29-16-18/h1-3H,4-17H2,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.06 | QSARToolbox | 0 » -1 |
| 4.06 | OCHEM | 0 » -1 |
| 4.06 | AttenGpKa training set | 0 » -1 |