Molecule ID: mol19039

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

InChI: InChI=1S/C12H17ClN2O5S2/c1-20-9-4-6-15(7-5-9)22(18,19)10-2-3-12(11(13)8-10)21(14,16)17/h2-3,8-9H,4-7H2,1H3,(H2,14,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization