Molecule ID: mol19040

SMILES: COC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1

InChI: InChI=1S/C13H17F3N2O5S2/c1-23-9-4-6-18(7-5-9)25(21,22)10-2-3-12(24(17,19)20)11(8-10)13(14,15)16/h2-3,8-9H,4-7H2,1H3,(H2,17,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.12 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization