Molecule

ID:9763

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂F₈
Molecular Mass
298.1315056
Exact Mass
298.00287582
Charge
0
InChI
InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
InChIKey
QWCHHUZAAGRHDB-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)cc(c(c1c1c(F)c(F)cc(c1F)F)F)F
Isomeric Smiles
Fc1c(c(F)c(cc1F)F)c1c(F)c(F)cc(c1F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.762087
LogD (pH = 7.4)
4.762087
Log P
4.762087
Molar Refractivity
52.9254
Polarizability
19.612251
Polar Surface Area
0.0
Rotatable Bonds
0
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
References
Bioactivity
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