Molecule ID: mol31960

SMILES: CC(C)(CNCCc1ccc(O)c2nc(O)sc12)CSCCOCCc1ccccc1N

InChI: InChI=1S/C24H33N3O3S2/c1-24(2,16-31-14-13-30-12-10-17-5-3-4-6-19(17)25)15-26-11-9-18-7-8-20(28)21-22(18)32-23(29)27-21/h3-8,26,28H,9-16,25H2,1-2H3,(H,27,29)

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