pKahub
About
Molecules
Datasets
Molecule ID:
mol12380
SMILES:
Nc1ccncc1F
InChI:
InChI=1S/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.77
Datawarrior
1 » 0
4.77
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization