Molecule
ID:99779
General Information
Molecular Formula
C₁₀H₉F₃O₃
Molecular Mass
234.1718696
Exact Mass
234.05037881
Charge
0
InChI
InChI=1S/C10H9F3O3/c1-3-16-10(14)5-4-6(11)8(13)9(15-2)7(5)12/h4H,3H2,1-2H3
InChIKey
ZXFYRSUEOKXKOQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(F)c(c(c1F)OC)F
Isomeric Smiles
Fc1c(cc(c(c1OC)F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6039653
LogD (pH = 7.4)
2.6039653
Log P
2.6039653
Molar Refractivity
49.9443
Polarizability
18.50989
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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