Molecule ID: mol20319

SMILES: Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O

InChI: InChI=1S/C21H24N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,11,26H,10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25)

Experimental Macro pKa Values

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