Molecule ID: mol32009

SMILES: O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)CCOCc1ccccc1

InChI: InChI=1S/C21H26N2O5S2/c24-18-8-7-17(20-19(18)23-21(25)29-20)9-11-22-10-4-13-30(26,27)14-12-28-15-16-5-2-1-3-6-16/h1-3,5-8,22,24H,4,9-15H2,(H,23,25)

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