Molecule ID: mol20146
SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C3CCOC3)c2)CCCCC1
InChI: InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,27+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | Baltruschat ChEMBL | 1 » 0 |