Molecule ID: mol2794

SMILES: CC(C)Nc1nc(Nc2ccc(C(N)=O)cc2)c2sccc2n1

InChI: InChI=1S/C16H17N5OS/c1-9(2)18-16-20-12-7-8-23-13(12)15(21-16)19-11-5-3-10(4-6-11)14(17)22/h3-9H,1-2H3,(H2,17,22)(H2,18,19,20,21)

Experimental Macro pKa Values

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