Molecule ID: mol14419
SMILES: COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5O)[C@H]43
InChI: InChI=1S/C23H26N2O6/c1-30-18(27)23(29)17(26)20-8-5-12-24-13-11-21(16(20)24)14-6-3-4-7-15(14)25(19(28)31-2)22(21,23)10-9-20/h3-8,16-17,26,29H,9-13H2,1-2H3/t16-,17?,20-,21+,22-,23+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.63 | Datawarrior | 1 » 0 |