Molecule ID: mol20676

SMILES: CC1(c2cccc(NC(=O)c3ccccn3)c2)CSC(N)=N1

InChI: InChI=1S/C16H16N4OS/c1-16(10-22-15(17)20-16)11-5-4-6-12(9-11)19-14(21)13-7-2-3-8-18-13/h2-9H,10H2,1H3,(H2,17,20)(H,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization