Molecule ID: mol2763
SMILES: C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChI: InChI=1S/C29H43NO6/c1-17-10-11-21(30-16-17)13-19(3)22-14-24-29(7,36-24)12-8-9-18(2)26(33)20(4)27(34)28(5,6)23(31)15-25(32)35-22/h10-11,13,16,18,20,22-24,26,31,33H,8-9,12,14-15H2,1-7H3/b19-13+/t18-,20+,22-,23-,24-,26-,29+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Novartis | 1 » 0 |