Molecule ID: mol18045
SMILES: CCCCCCCCCCCn1cc(CCN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1
InChI: InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-13-25-14-15(23-24-25)11-12-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | Baltruschat ChEMBL | 1 » 0 |