pKahub
About
Molecules
Datasets
Molecule ID:
mol12423
SMILES:
O=C(O)c1cnoc1
InChI:
InChI=1S/C4H3NO3/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.39
Datawarrior
0 » -1
3.39
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization