pKahub
About
Molecules
Datasets
Molecule ID:
mol22215
SMILES:
N#CSCC(=O)O
InChI:
InChI=1S/C3H3NO2S/c4-2-7-1-3(5)6/h1H2,(H,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.58
OCHEM
0 » -1
2.58
OCHEM
0 » -1
2.58
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization