Molecule ID: mol28700

SMILES: O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1

InChI: InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization