Molecule ID: mol20628

SMILES: Cc1ccc(C[S+]([O-])c2nc3cscc3[nH]2)nc1

InChI: InChI=1S/C12H11N3OS2/c1-8-2-3-9(13-4-8)7-18(16)12-14-10-5-17-6-11(10)15-12/h2-6H,7H2,1H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization