pKahub
About
Molecules
Datasets
Molecule ID:
mol15882
SMILES:
CCSC(C)=N
InChI:
InChI=1S/C4H9NS/c1-3-6-4(2)5/h5H,3H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.90
Datawarrior
1 » 0
6.90
QSARToolbox
1 » 0
6.90
OCHEM
1 » 0
7.01
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization