pKahub
About
Molecules
Datasets
Molecule ID:
mol27997
SMILES:
N=C(N)NN
InChI:
InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.00
OCHEM
2 » 1
3.00
OCHEM
2 » 1
11.04
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization