pKahub
About
Molecules
Datasets
Molecule ID:
mol24401
SMILES:
CCCNCCO
InChI:
InChI=1S/C5H13NO/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.20
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization