Molecule ID: mol36101

SMILES: O=C(O)CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C12H16N2O6S/c15-12(16)4-2-1-3-9-13-21(19,20)11-7-5-10(6-8-11)14(17)18/h5-8,13H,1-4,9H2,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.42 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization