pKahub
About
Molecules
Datasets
Molecule ID:
mol29296
SMILES:
NC(=O)O
InChI:
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.90
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization