Molecule ID: mol21170

SMILES: CN1CCN(Cc2ccc(C(=O)c3csc(S(N)(=O)=O)c3)cc2)CC1

InChI: InChI=1S/C17H21N3O3S2/c1-19-6-8-20(9-7-19)11-13-2-4-14(5-3-13)17(21)15-10-16(24-12-15)25(18,22)23/h2-5,10,12H,6-9,11H2,1H3,(H2,18,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.32 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization