Molecule ID: mol31966

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCc1cccc(C(F)(F)F)c1

InChI: InChI=1S/C23H28F3N3O5S2/c24-23(25,26)18-4-1-3-16(15-18)8-12-34-13-11-28-36(32,33)14-2-9-27-10-7-17-5-6-19(30)20-21(17)35-22(31)29-20/h1,3-6,15,27-28,30H,2,7-14H2,(H,29,31)

Experimental Macro pKa Values

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