Molecule

ID:97482

General Information
Structure
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Molecular Formula
C₆F₆
Molecular Mass
186.0546192
Exact Mass
185.99041932
Charge
0
InChI
InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8294575
LogD (pH = 7.4)
2.8294575
Log P
2.8294575
Molar Refractivity
27.3564
Polarizability
9.656512
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
No Data Available
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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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