Molecule
ID:96853
General Information
Molecular Formula
C₁₂F₈
Molecular Mass
296.1156256
Exact Mass
295.98722576
Charge
0
InChI
InChI=1S/C12F8/c13-5-1-2(6(14)10(18)9(5)17)4-3(1)7(15)11(19)12(20)8(4)16
InChIKey
CQKQSUKECBDFHR-UHFFFAOYSA-N
Canonic Smiles
Fc1c2c(c3c2c(F)c(c(c3F)F)F)c(c(c1F)F)F
Isomeric Smiles
Fc1c2c(c(c(c1F)F)F)c1c2c(c(c(c1F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.436066
LogD (pH = 7.4)
4.436066
Log P
4.436066
Molar Refractivity
52.0036
Polarizability
20.055191
Polar Surface Area
0.0
Rotatable Bonds
0
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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