Molecule ID: mol24693
SMILES: C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
InChI: InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.28 | AttenGpKa training set | 1 » 0 |
| 9.60 | AttenGpKa training set | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |