Molecule

ID:9823

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O₂
Molecular Mass
218.1724696
Exact Mass
218.05546419
Charge
0
InChI
InChI=1S/C10H9F3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3
InChIKey
MHNBTKIAHHECCQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2113793
LogD (pH = 7.4)
3.2113793
Log P
3.2113793
Molar Refractivity
48.8056
Polarizability
17.81593
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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