Molecule ID: mol17478

SMILES: C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O

InChI: InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1

Experimental Macro pKa Values

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