Molecule ID: mol36575
SMILES: COC(=O)/C1=C(\C(=O)OC)N(C)CC(C)c2[nH]c(C(=O)C(F)(F)F)cc2C1C
InChI: InChI=1S/C18H21F3N2O5/c1-8-7-23(3)14(17(26)28-5)12(16(25)27-4)9(2)10-6-11(22-13(8)10)15(24)18(19,20)21/h6,8-9,22H,7H2,1-5H3/b14-12+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.94 | QSARToolbox | 0 » -1 |