Molecule ID: mol20638

SMILES: CCOc1ccnc(C[S+]([O-])c2nc3cscc3[nH]2)c1

InChI: InChI=1S/C13H13N3O2S2/c1-2-18-10-3-4-14-9(5-10)8-20(17)13-15-11-6-19-7-12(11)16-13/h3-7H,2,8H2,1H3,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.92 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization