Molecule

ID:32147

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₄
Molecular Mass
240.1962328
Exact Mass
240.05621314
Charge
0
InChI
InChI=1S/C13H8F4/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10/h1-8H
InChIKey
YMCGUEMTJIVPGA-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)F)(c1ccc(cc1)F)F
Isomeric Smiles
c1c(ccc(c1)F)C(c1ccc(cc1)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.606518
LogD (pH = 7.4)
4.606518
Log P
4.606518
Molar Refractivity
56.295
Polarizability
20.631596
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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