pKahub
About
Molecules
Datasets
Molecule ID:
mol15962
SMILES:
CC(C#[N+][O-])=NO
InChI:
InChI=1S/C3H4N2O2/c1-3(5-7)2-4-6/h7H,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.80
Datawarrior
1 » 0
8.80
QSARToolbox
1 » 0
8.80
QSARToolbox
1 » 0
8.80
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization