Molecule ID: mol18808
SMILES: CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(C(F)(F)F)cc1
InChI: InChI=1S/C16H23F3N2O4S/c1-11(2)10-14(20)15(22)21-8-3-9-26(23,24)25-13-6-4-12(5-7-13)16(17,18)19/h4-7,11,14H,3,8-10,20H2,1-2H3,(H,21,22)/t14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | Baltruschat ChEMBL | 1 » 0 |