Molecule ID: mol29339

SMILES: CCC1(C)NC(C(=O)O)CS1

InChI: InChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization