Molecule

ID:8686

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂F₆
Molecular Mass
337.8836792
Exact Mass
335.85839345
Charge
0
InChI
InChI=1S/C5H4Br2F6/c6-4(10,11)1-3(8,9)2-5(7,12)13/h1-2H2
InChIKey
XYMBGGTVDWPIBA-UHFFFAOYSA-N
Canonic Smiles
FC(CC(Br)(F)F)(CC(Br)(F)F)F
Isomeric Smiles
C(CC(CC(Br)(F)F)(F)F)(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4503882
LogD (pH = 7.4)
3.4503882
Log P
3.4503882
Molar Refractivity
41.7274
Polarizability
16.10515
Polar Surface Area
0.0
Rotatable Bonds
4
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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