Molecule

ID:12073

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₈O₆
Molecular Mass
322.0637056
Exact Mass
321.97236354
Charge
0
InChI
InChI=1S/C6H2F8O6/c7-3(8,1(15)16)19-5(11,12)6(13,14)20-4(9,10)2(17)18/h(H,15,16)(H,17,18)
InChIKey
PXMYQUXWTLQKLL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
0.32966712
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.9796593
LogD (pH = 7.4)
-4.0235076
Log P
3.0348523
Molar Refractivity
38.786
Polarizability
15.044313
Polar Surface Area
93.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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