pKahub
About
Molecules
Datasets
Molecule ID:
mol31358
SMILES:
OOc1ccc(O)cc1
InChI:
InChI=1S/C6H6O3/c7-5-1-3-6(9-8)4-2-5/h1-4,7-8H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.00
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization