pKahub
About
Molecules
Datasets
Molecule ID:
mol25279
SMILES:
CC1=NC(=N)SC1
InChI:
InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h5H,2H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-3.90
AttenGpKa training set
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization