Molecule ID: mol36102

SMILES: O=C(O)CCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

InChI: InChI=1S/C12H16N2O6S/c15-12(16)8-2-1-5-9-13-21(19,20)11-7-4-3-6-10(11)14(17)18/h3-4,6-7,13H,1-2,5,8-9H2,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization