Molecule

ID:99390

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₃F₉
Molecular Mass
484.7777088
Exact Mass
481.75629004
Charge
0
InChI
InChI=1S/C6H2Br3F9/c7-1-2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18/h1H2
InChIKey
LEHFCMSFGKMRKH-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(Br)Br
Isomeric Smiles
BrCC(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5686502
LogD (pH = 7.4)
5.5686502
Log P
5.5686502
Molar Refractivity
53.8881
Polarizability
21.365345
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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