pKahub
About
Molecules
Datasets
Molecule ID:
mol31390
SMILES:
O=C1CCCCN1O
InChI:
InChI=1S/C5H9NO2/c7-5-3-1-2-4-6(5)8/h8H,1-4H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.15
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization