pKahub
About
Molecules
Datasets
Molecule ID:
mol15960
SMILES:
CCC(N=O)=NO
InChI:
InChI=1S/C3H6N2O2/c1-2-3(4-6)5-7/h6H,2H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.80
Datawarrior
1 » 0
5.80
QSARToolbox
1 » 0
5.80
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization