Molecule ID: mol38287

SMILES: CCN(CC)S(=O)(=O)c1cc2c(S)c3c(C)ccc(C)c3nc2cc1Cl

InChI: InChI=1S/C19H21ClN2O2S2/c1-5-22(6-2)26(23,24)16-9-13-15(10-14(16)20)21-18-12(4)8-7-11(3)17(18)19(13)25/h7-10H,5-6H2,1-4H3,(H,21,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.03 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization