Molecule

ID:66086

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₂F₆
Molecular Mass
282.9978992
Exact Mass
281.94377474
Charge
0
InChI
InChI=1S/C8H2Cl2F6/c9-5-1-3(7(11,12)13)4(2-6(5)10)8(14,15)16/h1-2H
InChIKey
FHLISUPNJJTGGL-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(Cl)c(cc1C(F)(F)F)Cl)(F)F
Isomeric Smiles
c1(c(cc(c(c1)C(F)(F)F)C(F)(F)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.937032
LogD (pH = 7.4)
4.937032
Log P
4.937032
Molar Refractivity
47.615
Polarizability
17.2569
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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