Molecule ID: mol29314

SMILES: COC(=O)C(N)CS

InChI: InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.47 AttenGpKa training set 1 » 0
6.56 QSARToolbox 1 » 0
9.08 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization