pKahub
About
Molecules
Datasets
Molecule ID:
mol15875
SMILES:
CCC(N)=NO
InChI:
InChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.95
OCHEM
1 » 0
5.95
QSARToolbox
1 » 0
5.95
QSARToolbox
1 » 0
5.95
Datawarrior
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization