Molecule ID: mol20313

SMILES: Cc1nc(N)nc(C)c1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O

InChI: InChI=1S/C22H26N6O4S/c1-14-9-10-19(27-33(31,32)13-17-7-5-4-6-8-17)21(30)28(14)12-20(29)24-11-18-15(2)25-22(23)26-16(18)3/h4-10,27H,11-13H2,1-3H3,(H,24,29)(H2,23,25,26)

Experimental Macro pKa Values

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