Molecule ID: mol15071
SMILES: CN1[C@@H]2C[C@H](OC(=O)C(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12
InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13+,14-,15-,16+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | Datawarrior | 1 » 0 |