Molecule ID: mol16962

SMILES: CCOC(=O)[C@@H](N)CCC(=O)NCCSC(=O)c1ccccc1

InChI: InChI=1S/C16H22N2O4S/c1-2-22-15(20)13(17)8-9-14(19)18-10-11-23-16(21)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3,(H,18,19)/t13-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.85 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization