Molecule ID: mol11927

SMILES: O=C(NCC(=O)N1CSCC1C(=O)O)c1ccccc1

InChI: InChI=1S/C13H14N2O4S/c16-11(15-8-20-7-10(15)13(18)19)6-14-12(17)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization