Molecule ID: mol31972

SMILES: Oc1nc2c(O)ccc(CCNCCSCCCOCCCc3ccccc3)c2s1

InChI: InChI=1S/C23H30N2O3S2/c26-20-10-9-19(22-21(20)25-23(27)30-22)11-12-24-13-17-29-16-5-15-28-14-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,24,26H,4-5,8,11-17H2,(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