Molecule ID: mol14394
SMILES: COc1cc2c(cc1OC)[C@]13CCN4C(S(=O)(=O)O)C5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43
InChI: InChI=1S/C23H26N2O7S/c1-30-15-8-13-14(9-16(15)31-2)25-19(26)10-17-20-12-7-18-23(13,21(20)25)4-5-24(18)22(33(27,28)29)11(12)3-6-32-17/h3,8-9,12,17-18,20-22H,4-7,10H2,1-2H3,(H,27,28,29)/t12-,17-,18-,20-,21-,22?,23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | Datawarrior | 1 » 0 |