Molecule ID: mol15347
SMILES: Cc1c[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)c(O)nc1NCCc1ccccc1
InChI: InChI=1S/C18H23N3O4/c1-12-10-21(16-9-14(23)15(11-22)25-16)18(24)20-17(12)19-8-7-13-5-3-2-4-6-13/h2-6,10,14-16,22-23H,7-9,11H2,1H3,(H,19,20,24)/p+1/t14-,15+,16+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.83 | Datawarrior | 1 » 0 |