pKahub
About
Molecules
Datasets
Molecule ID:
mol24489
SMILES:
OC1CCNC1
InChI:
InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2
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