Molecule ID: mol31946

SMILES: CC(C)(CCCCOCCc1ccccc1N)CNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C25H35N3O3S/c1-25(2,13-5-6-15-31-16-12-18-7-3-4-8-20(18)26)17-27-14-11-19-9-10-21(29)22-23(19)32-24(30)28-22/h3-4,7-10,27,29H,5-6,11-17,26H2,1-2H3,(H,28,30)

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