Molecule ID: mol37783

SMILES: O=C(O)[C@@H]1CS[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1

InChI: InChI=1S/C8H15NO6S/c10-1-4(11)5(12)6(13)7-9-3(2-16-7)8(14)15/h3-7,9-13H,1-2H2,(H,14,15)/t3-,4-,5-,6+,7+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.26 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization