Molecule ID: mol8509

SMILES: CC(=O)NCCS(=O)(=O)C[C@H](N)C(=O)O

InChI: InChI=1S/C7H14N2O5S/c1-5(10)9-2-3-15(13,14)4-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.44 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization