Molecule ID: mol16961

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

InChI: InChI=1S/C13H24N2O4S/c1-3-4-8-19-13(18)11(14)5-6-12(17)15-7-9-20-10(2)16/h11H,3-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.69 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization