Molecule ID: mol21157

SMILES: CN(C)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O

InChI: InChI=1S/C14H16N2O4S2/c1-16(2)7-10-5-9(3-4-12(10)17)14(18)11-6-13(21-8-11)22(15,19)20/h3-6,8,17H,7H2,1-2H3,(H2,15,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization