Molecule ID: mol34653
SMILES: c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOCCOC2
InChI: InChI=1S/C23H39NO9/c1-2-22-20-32-18-16-30-14-12-28-10-8-26-6-4-25-5-7-27-9-11-29-13-15-31-17-19-33-21-23(3-1)24-22/h1-3H,4-21H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 1 » 0 |
| 3.53 | QSARToolbox | 1 » 0 |