Molecule

ID:43457

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₃O₃
Molecular Mass
272.2198496
Exact Mass
272.06602887
Charge
0
InChI
InChI=1S/C13H11F3O3/c1-2-18-12(17)9-7-8-5-3-4-6-10(8)19-11(9)13(14,15)16/h3-7,11H,2H2,1H3
InChIKey
OROLCVQVANZPLP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=Cc2ccccc2OC1C(F)(F)F
Isomeric Smiles
C1(=Cc2c(OC1C(F)(F)F)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.36267
LogD (pH = 7.4)
3.36267
Log P
3.36267
Molar Refractivity
62.0316
Polarizability
23.139803
Polar Surface Area
35.53
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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