pKahub
About
Molecules
Datasets
Molecule ID:
mol13635
SMILES:
OC(O)c1cccnc1
InChI:
InChI=1S/C6H7NO2/c8-6(9)5-2-1-3-7-4-5/h1-4,6,8-9H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
13.10
Datawarrior
0 » -1
13.10
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization