Molecule ID: mol19692

SMILES: COc1cc2nc(N3CCc4c(cccc4NS(C)(=O)=O)C3)nc(N)c2c(-c2ccccn2)c1OC

InChI: InChI=1S/C25H26N6O4S/c1-34-20-13-19-22(21(23(20)35-2)18-8-4-5-11-27-18)24(26)29-25(28-19)31-12-10-16-15(14-31)7-6-9-17(16)30-36(3,32)33/h4-9,11,13,30H,10,12,14H2,1-3H3,(H2,26,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization