pKahub
About
Molecules
Datasets
Molecule ID:
mol24493
SMILES:
OC1CCNCC1
InChI:
InChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.40
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization