pKahub
About
Molecules
Datasets
Molecule ID:
mol12469
SMILES:
CC(CN(C)C)=NO
InChI:
InChI=1S/C5H12N2O/c1-5(6-8)4-7(2)3/h8H,4H2,1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.90
QSARToolbox
0 » -1
10.90
Datawarrior
0 » -1
10.90
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization