Molecule ID: mol36099

SMILES: O=C(O)CCCCCNS(=O)(=O)c1ccc(Br)cc1

InChI: InChI=1S/C12H16BrNO4S/c13-10-5-7-11(8-6-10)19(17,18)14-9-3-1-2-4-12(15)16/h5-8,14H,1-4,9H2,(H,15,16)

Experimental Macro pKa Values

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