pKahub
About
Molecules
Datasets
Molecule ID:
mol15830
SMILES:
O=P1(O)CCC1
InChI:
InChI=1S/C3H7O2P/c4-6(5)2-1-3-6/h1-3H2,(H,4,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.07
OCHEM
0 » -1
3.07
QSARToolbox
0 » -1
3.07
Datawarrior
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization