Molecule ID: mol31968

SMILES: Nc1ccccc1CCOCCS(=O)(=O)CCCNCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C22H29N3O5S2/c23-18-5-2-1-4-16(18)9-12-30-13-15-32(28,29)14-3-10-24-11-8-17-6-7-19(26)20-21(17)31-22(27)25-20/h1-2,4-7,24,26H,3,8-15,23H2,(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