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+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.94 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization