Molecule ID: mol18048
SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](NCc2cn(CCc3ccccc3)nn2)[C@H](O)[C@H]1O
InChI: InChI=1S/C17H24N4O5/c22-13-12(14(23)16(25)17(26)15(13)24)18-8-11-9-21(20-19-11)7-6-10-4-2-1-3-5-10/h1-5,9,12-18,22-26H,6-8H2/t12-,13-,14+,15+,16-,17-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Baltruschat ChEMBL | 1 » 0 |