Molecule

ID:53455

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O₂
Molecular Mass
218.1724696
Exact Mass
218.05546419
Charge
0
InChI
InChI=1S/C10H9F3O2/c1-15-9(14)6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
InChIKey
GMEBDKGPPKAPEM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(CC(=O)OC)cc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6347365
LogD (pH = 7.4)
2.6347365
Log P
2.6347365
Molar Refractivity
48.1084
Polarizability
17.839045
Polar Surface Area
26.3
Rotatable Bonds
4
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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