Molecule ID: mol32020

SMILES: CC(C)(CCCCOCCc1ccc(O)cc1)CNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C25H34N2O4S/c1-25(2,13-3-4-15-31-16-12-18-5-8-20(28)9-6-18)17-26-14-11-19-7-10-21(29)22-23(19)32-24(30)27-22/h5-10,26,28-29H,3-4,11-17H2,1-2H3,(H,27,30)

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