Molecule
ID:66147
General Information
Molecular Formula
C₁₂H₆F₆
Molecular Mass
264.1664592
Exact Mass
264.03736951
Charge
0
InChI
InChI=1S/C12H6F6/c13-11(14,15)9-5-6-10(12(16,17)18)8-4-2-1-3-7(8)9/h1-6H
InChIKey
ZNVGIJXGUXKCNE-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(c2c1cccc2)C(F)(F)F)(F)F
Isomeric Smiles
c1(ccc(c2ccccc12)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7184196
LogD (pH = 7.4)
4.7184196
Log P
4.7184196
Molar Refractivity
54.4556
Polarizability
20.137392
Polar Surface Area
0.0
Rotatable Bonds
2
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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