Molecule

ID:11889

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂F₆
Molecular Mass
337.8836792
Exact Mass
335.85839345
Charge
0
InChI
InChI=1S/C5H4Br2F6/c6-1-3(8,9)5(12,13)4(10,11)2-7/h1-2H2
InChIKey
QMSMXOXREPKYSH-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(C(CBr)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(CBr)(F)F)(F)F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9734232
LogD (pH = 7.4)
3.9734232
Log P
3.9734232
Molar Refractivity
40.6266
Polarizability
16.051434
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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