Molecule ID: mol35087

SMILES: CSCCC(NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)O

InChI: InChI=1S/C13H18N2O5S2/c1-21-8-7-11(13(17)18)15-12(16)9-14-22(19,20)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization