pKahub
About
Molecules
Datasets
Molecule ID:
mol31083
SMILES:
CCCCCO
InChI:
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
16.10
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization