Molecule ID: mol37059

SMILES: COc1cc(Cc2c(N)nc(N)nc2SC)cc(OC)c1OC

InChI: InChI=1S/C15H20N4O3S/c1-20-10-6-8(7-11(21-2)12(10)22-3)5-9-13(16)18-15(17)19-14(9)23-4/h6-7H,5H2,1-4H3,(H4,16,17,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.09 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization