Molecule ID: mol17207
SMILES: c1cc([C@H]2CC[C@@]3(CC2)C[C@@]2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
InChI: InChI=1S/C29H41NO4/c1-3-27(32-14-11-30-9-12-31-13-10-30)4-2-23(1)24-5-7-28(8-6-24)20-29(34-33-28)25-16-21-15-22(18-25)19-26(29)17-21/h1-4,21-22,24-26H,5-20H2/t21?,22?,24-,25?,26?,28+,29-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.82 | Baltruschat ChEMBL | 1 » 0 |