Molecule ID: mol19532

SMILES: CCc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1

InChI: InChI=1S/C16H24N4S/c1-2-13-15(17-12-5-6-12)18-14(11-3-4-11)19-16(13)20-7-9-21-10-8-20/h11-12H,2-10H2,1H3,(H,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization