Molecule ID: mol2765
SMILES: C/C(=C\c1ccccn1)[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/C28H41NO6/c1-17-10-9-12-28(6)23(35-28)15-21(18(2)14-20-11-7-8-13-29-20)34-24(31)16-22(30)27(4,5)26(33)19(3)25(17)32/h7-8,11,13-14,17,19,21-23,25,30,32H,9-10,12,15-16H2,1-6H3/b18-14+/t17-,19+,21-,22-,23-,25-,28+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | Novartis | 1 » 0 |