pKahub
About
Molecules
Datasets
Molecule ID:
mol9304
SMILES:
O=c1c(O)cocc1O
InChI:
InChI=1S/C5H4O4/c6-3-1-9-2-4(7)5(3)8/h1-2,6-7H
Experimental Macro pKa Values
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JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.68
IUPAC digitized pKa
0 » -1
10.54
IUPAC digitized pKa
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization