pKahub
About
Molecules
Datasets
Molecule ID:
mol24486
SMILES:
C1=CCNC1
InChI:
InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.50
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization