Molecule ID: mol19540

SMILES: Cc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1

InChI: InChI=1S/C15H22N4S/c1-10-13(16-12-4-5-12)17-14(11-2-3-11)18-15(10)19-6-8-20-9-7-19/h11-12H,2-9H2,1H3,(H,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization