Molecule ID: mol31981

SMILES: CC(C)(CCCCOCCc1cccc(N)c1)CNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C25H35N3O3S/c1-25(2,12-3-4-14-31-15-11-18-6-5-7-20(26)16-18)17-27-13-10-19-8-9-21(29)22-23(19)32-24(30)28-22/h5-9,16,27,29H,3-4,10-15,17,26H2,1-2H3,(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