Molecule ID: mol28795

SMILES: O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1

InChI: InChI=1S/C13H11BrN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.90 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization