Molecule ID: mol22312

SMILES: NC(=O)CC(S)C(=O)O

InChI: InChI=1S/C4H7NO3S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H2,5,6)(H,7,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.50 AttenGpKa training set 0 » -1
9.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization