Molecule

ID:9764

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₇O₂
Molecular Mass
254.1022224
Exact Mass
254.01777694
Charge
0
InChI
InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2
InChIKey
PLXOUIVCSUBZIX-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C=C)OCC(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2685564
LogD (pH = 7.4)
3.2685564
Log P
3.2685564
Molar Refractivity
36.8466
Polarizability
13.847044
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
References
Bioactivity
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