pKahub
About
Molecules
Datasets
Molecule ID:
mol6767
SMILES:
Cc1nc(C)c(C)o1
InChI:
InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.51
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization