pKahub
About
Molecules
Datasets
Molecule ID:
mol15872
SMILES:
NCC(=O)CN
InChI:
InChI=1S/C3H8N2O/c4-1-3(6)2-5/h1-2,4-5H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.89
Datawarrior
1 » 0
8.32
OCHEM
1 » 0
8.32
Datawarrior
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization