pKahub
About
Molecules
Datasets
Molecule ID:
mol6320
SMILES:
Nc1ccccc(=O)c1
InChI:
InChI=1S/C7H7NO/c8-6-3-1-2-4-7(9)5-6/h1-5H,8H2
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.33
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization