pKahub
About
Molecules
Datasets
Molecule ID:
mol13541
SMILES:
c1ccc2scnc2c1
InChI:
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
1.31
AttenGpKa training set
1 » 0
1.38
Datawarrior
1 » 0
1.38
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization