Molecule ID: mol21155

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

InChI: InChI=1S/C17H22N2O4S2/c1-11(2)8-19(3)9-13-6-12(4-5-15(13)20)17(21)14-7-16(24-10-14)25(18,22)23/h4-7,10-11,20H,8-9H2,1-3H3,(H2,18,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.40 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization