Molecule ID: mol31970

SMILES: Oc1nc2c(O)ccc(CCNCCCCCCOCCc3ccccn3)c2s1

InChI: InChI=1S/C22H29N3O3S/c26-19-9-8-17(21-20(19)25-22(27)29-21)10-14-23-12-4-1-2-6-15-28-16-11-18-7-3-5-13-24-18/h3,5,7-9,13,23,26H,1-2,4,6,10-12,14-16H2,(H,25,27)

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