Molecule ID: mol15357
SMILES: C=C(C(=O)O[C@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)N2C)c1ccccc1
InChI: InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13+,14-,15-,16+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.72 | Datawarrior | 1 » 0 |