Molecule ID: mol20635

SMILES: COc1ccnc(C[S+]([O-])c2nc3cscc3[nH]2)c1

InChI: InChI=1S/C12H11N3O2S2/c1-17-9-2-3-13-8(4-9)7-19(16)12-14-10-5-18-6-11(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
4.16 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization