Molecule ID: mol31976

SMILES: Oc1nc2c(O)ccc(CCNCCSCCCOCCc3ccccn3)c2s1

InChI: InChI=1S/C21H27N3O3S2/c25-18-6-5-16(20-19(18)24-21(26)29-20)7-10-22-11-15-28-14-3-12-27-13-8-17-4-1-2-9-23-17/h1-2,4-6,9,22,25H,3,7-8,10-15H2,(H,24,26)

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