pKahub
About
Molecules
Datasets
Molecule ID:
mol24725
SMILES:
CC(C)(C)N(O)N=O
InChI:
InChI=1S/C4H10N2O2/c1-4(2,3)6(8)5-7/h8H,1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.00
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization