Molecule ID: mol36416

SMILES: CN(C)c1cccc2c(S(=O)(=O)NCCN3CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC3)cccc12

InChI: InChI=1S/C28H45N9O5S/c1-33(2)24-7-3-6-23-22(24)5-4-8-25(23)43(41,42)32-9-10-34-11-13-35(19-26(29)38)15-17-37(21-28(31)40)18-16-36(14-12-34)20-27(30)39/h3-8,32H,9-21H2,1-2H3,(H2,29,38)(H2,30,39)(H2,31,40)

Experimental Macro pKa Values

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