pKahub
About
Molecules
Datasets
Molecule ID:
mol15842
SMILES:
S=C1NCCO1
InChI:
InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.05
Datawarrior
0 » -1
11.05
OCHEM
0 » -1
11.05
QSARToolbox
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization