pKahub
About
Molecules
Datasets
Molecule ID:
mol31354
SMILES:
OOCc1ccccc1
InChI:
InChI=1S/C7H8O2/c8-9-6-7-4-2-1-3-5-7/h1-5,8H,6H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.00
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization