Molecule

ID:9822

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃O₂
Molecular Mass
232.1990496
Exact Mass
232.07111425
Charge
0
InChI
InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-5-3-4-6-9(8)11(12,13)14/h3-6H,2,7H2,1H3
InChIKey
OWPVWCWCZGEPGF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccccc1C(F)(F)F
Isomeric Smiles
c1ccc(c(c1)CC(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9915445
LogD (pH = 7.4)
2.9915445
Log P
2.9915445
Molar Refractivity
52.857
Polarizability
19.636614
Polar Surface Area
26.3
Rotatable Bonds
5
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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