Molecule ID: mol36596

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

InChI: InChI=1S/C13H18N2O6S/c1-21-13(16)5-3-2-4-10-14-22(19,20)12-8-6-11(7-9-12)15(17)18/h6-9,14H,2-5,10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.87 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization