Molecule

ID:6531

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₈O₂
Molecular Mass
262.0978656
Exact Mass
262.02400519
Charge
0
InChI
InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
InChIKey
NHEKBXPLFJSSBZ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(CO)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(C(C(C(CO)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.320054
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5938917
LogD (pH = 7.4)
1.5938866
Log P
1.5938917
Molar Refractivity
33.2256
Polarizability
12.9826
Polar Surface Area
40.46
Rotatable Bonds
5
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
References
Bioactivity
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