Molecule ID: mol31938

SMILES: Cc1ccc(CCCOCCS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)s1

InChI: InChI=1S/C22H30N2O5S3/c1-16-5-7-18(30-16)4-2-12-29-13-15-32(27,28)14-3-10-23-11-9-17-6-8-19(25)20-21(17)31-22(26)24-20/h5-8,23,25H,2-4,9-15H2,1H3,(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