Molecule ID: mol17108
SMILES: CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)N[C@]12CC[C@@H](OC)CC2
InChI: InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)/t15-,21+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 1 » 0 |