Molecule ID: mol35829

SMILES: CCN/C(=C/C(=O)c1cccc(S(=O)(=O)O)c1)SCCO

InChI: InChI=1S/C13H17NO5S2/c1-2-14-13(20-7-6-15)9-12(16)10-4-3-5-11(8-10)21(17,18)19/h3-5,8-9,14-15H,2,6-7H2,1H3,(H,17,18,19)/b13-9-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization