pKahub
About
Molecules
Datasets
Molecule ID:
mol5982
SMILES:
Nc1ccc(F)cc1N
InChI:
InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
Experimental Macro pKa Values
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JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.28
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization