Molecule ID: mol31696

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

InChI: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.22 OCHEM 1 » 0
2.22 OCHEM 1 » 0
8.87 OCHEM 0 » -1
10.86 OCHEM -1 » -2
10.86 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization