pKahub
About
Molecules
Datasets
Molecule ID:
mol31743
SMILES:
O=C(O)CN=C=S
InChI:
InChI=1S/C3H3NO2S/c5-3(6)1-4-2-7/h1H2,(H,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.62
OCHEM
0 » -1
6.62
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization