Molecule ID: mol20318

SMILES: Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2cccc3c2OCCO3)c1=O

InChI: InChI=1S/C23H26N6O6S/c1-14-6-7-18(28-36(32,33)13-16-4-3-5-19-21(16)35-9-8-34-19)22(31)29(14)12-20(30)25-10-17-11-26-23(24)27-15(17)2/h3-7,11,28H,8-10,12-13H2,1-2H3,(H,25,30)(H2,24,26,27)

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