Molecule

ID:32123

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₄
Molecular Mass
240.1962328
Exact Mass
240.05621314
Charge
0
InChI
InChI=1S/C13H8F4/c14-10-6-7-12(15)11(8-10)13(16,17)9-4-2-1-3-5-9/h1-8H
InChIKey
FFWXLTKTKVPHNM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(c1ccccc1)(F)F)F
Isomeric Smiles
Fc1cc(c(cc1)F)C(c1ccccc1)(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
20.63135
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
No Data Available
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Molecule Details
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References
Bioactivity
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