Molecule ID: mol29345

SMILES: CC(C)CC1NC(C(=O)O)CS1

InChI: InChI=1S/C8H15NO2S/c1-5(2)3-7-9-6(4-12-7)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization