pKahub
About
Molecules
Datasets
Molecule ID:
mol3675
SMILES:
Cn1ccc(=S)cc1
InChI:
InChI=1S/C6H7NS/c1-7-4-2-6(8)3-5-7/h2-5H,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
1.30
IUPAC digitized pKa
1 » 0
1.36
Datawarrior
1 » 0
1.36
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization