Molecule ID: mol38417

SMILES: CCN(CC)S(=O)(=O)c1cc2c(S)c3cccc(C)c3nc2cc1Cl

InChI: InChI=1S/C18H19ClN2O2S2/c1-4-21(5-2)25(22,23)16-9-13-15(10-14(16)19)20-17-11(3)7-6-8-12(17)18(13)24/h6-10H,4-5H2,1-3H3,(H,20,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization