Molecule ID: mol2857

SMILES: COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12

InChI: InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 Novartis 0 » -1
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Charge States and Microspecies Visualization