pKahub
About
Molecules
Datasets
Molecule ID:
mol16006
SMILES:
O=P1(O)CCCC1
InChI:
InChI=1S/C4H9O2P/c5-7(6)3-1-2-4-7/h1-4H2,(H,5,6)
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.51
QSARToolbox
0 » -1
2.51
QSARToolbox
0 » -1
2.51
Datawarrior
0 » -1
2.51
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization