pKahub
About
Molecules
Datasets
Molecule ID:
mol32711
SMILES:
CC1NC1C
InChI:
InChI=1S/C4H9N/c1-3-4(2)5-3/h3-5H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.34
OCHEM
1 » 0
8.69
QSARToolbox
1 » 0
8.69
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization