Molecule ID: mol19243

SMILES: Cc1ncc(CN2CSC(CCO)C2C)c(N)n1

InChI: InChI=1S/C12H20N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,8,11,17H,3-4,6-7H2,1-2H3,(H2,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization