Molecule

ID:100879

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₇O₂
Molecular Mass
254.1022224
Exact Mass
254.01777694
Charge
0
InChI
InChI=1S/C7H5F7O2/c1-2-3-16-4(15)5(8,9)6(10,11)7(12,13)14/h2H,1,3H2
InChIKey
JFBHYYDXTQBWAL-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(C(F)(F)C(=O)OCC=C)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1874123
LogD (pH = 7.4)
3.1874123
Log P
3.1874123
Molar Refractivity
36.9217
Polarizability
13.848407
Polar Surface Area
26.3
Rotatable Bonds
6
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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