pKahub
About
Molecules
Datasets
Molecule ID:
mol13501
SMILES:
CCN(CC)CCSC
InChI:
InChI=1S/C7H17NS/c1-4-8(5-2)6-7-9-3/h4-7H2,1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.62
OCHEM
1 » 0
9.62
Datawarrior
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization