Molecule ID: mol8480

SMILES: NCC[S+]([O-])CCC(=O)O

InChI: InChI=1S/C5H11NO3S/c6-2-4-10(9)3-1-5(7)8/h1-4,6H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization