Molecule

ID:66143

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₅
Molecular Mass
258.186696
Exact Mass
258.04679132
Charge
0
InChI
InChI=1S/C13H7F5/c14-8-5-6-10(12(16)7-8)13(17,18)9-3-1-2-4-11(9)15/h1-7H
InChIKey
GONITCXTDWAYCZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C(c1ccccc1F)(F)F
Isomeric Smiles
c1(c(cc(cc1)F)F)C(c1ccccc1F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.74922
LogD (pH = 7.4)
4.74922
Log P
4.74922
Molar Refractivity
56.5114
Polarizability
20.482418
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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