Molecule ID: mol21182

SMILES: NS(=O)(=O)c1cc(C(=O)c2ccc(CN3CCOCC3)cc2)cs1

InChI: InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18/h1-4,9,11H,5-8,10H2,(H2,17,20,21)

Experimental Macro pKa Values

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