Molecule ID: mol19534

SMILES: COc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1

InChI: InChI=1S/C15H22N4OS/c1-20-12-14(16-11-4-5-11)17-13(10-2-3-10)18-15(12)19-6-8-21-9-7-19/h10-11H,2-9H2,1H3,(H,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization