pKahub
About
Molecules
Datasets
Molecule ID:
mol12460
SMILES:
CC(=NO)C(C)=NO
InChI:
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.60
Datawarrior
-1 » -2
11.25
OCHEM
-1 » -2
11.90
Datawarrior
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization