Molecule

ID:96018

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃O₃
Molecular Mass
258.1932696
Exact Mass
258.05037881
Charge
0
InChI
InChI=1S/C12H9F3O3/c13-12(14,15)9-3-1-7(2-4-9)8-5-10(16)18-11(17)6-8/h1-4,8H,5-6H2
InChIKey
HZDZILMFIREYDD-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C1CC(=O)OC(=O)C1)(F)F
Isomeric Smiles
O1C(=O)CC(c2ccc(cc2)C(F)(F)F)CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4789293
LogD (pH = 7.4)
2.4789293
Log P
2.4789293
Molar Refractivity
55.5499
Polarizability
20.94084
Polar Surface Area
43.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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