Molecule ID: mol38162

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

InChI: InChI=1S/C18H19ClN2O3S2/c1-4-21(5-2)26(22,23)16-9-12-14(10-13(16)19)20-17-11(18(12)25)7-6-8-15(17)24-3/h6-10H,4-5H2,1-3H3,(H,20,25)

Experimental Macro pKa Values

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