Molecule ID: mol37592

SMILES: O=C(O)[C@@H](SCCS[C@H](C(=O)O)c1ccccc1)c1ccccc1

InChI: InChI=1S/C18H18O4S2/c19-17(20)15(13-7-3-1-4-8-13)23-11-12-24-16(18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.69 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization