Molecule

ID:97950

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₅O₂
Molecular Mass
204.094716
Exact Mass
204.0209705
Charge
0
InChI
InChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2
InChIKey
OOPSTBSKXWPLKJ-UHFFFAOYSA-N
Canonic Smiles
FC(=C)C(=O)OCC(C(F)F)(F)F
Isomeric Smiles
FC(=C)C(=O)OCC(C(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0067627
LogD (pH = 7.4)
2.0067627
Log P
2.0067627
Molar Refractivity
31.4918
Polarizability
11.994978
Polar Surface Area
26.3
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
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Molecule Details
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References
Bioactivity
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