Molecule ID: mol31887
SMILES: c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOC2
InChI: InChI=1S/C21H35NO8/c1-2-20-18-29-16-14-27-12-10-25-8-6-23-4-5-24-7-9-26-11-13-28-15-17-30-19-21(3-1)22-20/h1-3H,4-19H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | OCHEM | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |