Molecule ID: mol31993

SMILES: CSc1cccc(CCOCCS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)c1

InChI: InChI=1S/C23H30N2O5S3/c1-31-19-5-2-4-17(16-19)9-12-30-13-15-33(28,29)14-3-10-24-11-8-18-6-7-20(26)21-22(18)32-23(27)25-21/h2,4-7,16,24,26H,3,8-15H2,1H3,(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