Molecule ID: mol20897
SMILES: CCN1CCN(c2cc(=O)oc3c(C)c(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(=O)c5ccc(C)[nH]5)[C@H]4O)ccc23)CC1
InChI: InChI=1S/C30H39N3O8/c1-7-32-12-14-33(15-13-32)21-16-23(34)39-25-18(3)22(11-9-19(21)25)38-29-24(35)26(27(37-6)30(4,5)41-29)40-28(36)20-10-8-17(2)31-20/h8-11,16,24,26-27,29,31,35H,7,12-15H2,1-6H3/t24-,26+,27-,29-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Baltruschat ChEMBL | 1 » 0 |