Molecule ID: mol31842

SMILES: NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl

InChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.36 OCHEM -1 » -2
9.36 OCHEM -1 » -2
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Charge States and Microspecies Visualization