Molecule ID: mol28241

SMILES: CC[C@@](C)(S)[C@H](NC(C)=O)C(=O)O

InChI: InChI=1S/C8H15NO3S/c1-4-8(3,13)6(7(11)12)9-5(2)10/h6,13H,4H2,1-3H3,(H,9,10)(H,11,12)/t6-,8-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization