Molecule

ID:98523

General Information
Structure
Molecular Formula
C₄H₄Br₂F₄
Molecular Mass
287.8761728
Exact Mass
285.86158701
Charge
0
InChI
InChI=1S/C4H4Br2F4/c5-2-3(6,7)1-4(8,9)10/h1-2H2
InChIKey
QROYPQWDIFNHHN-UHFFFAOYSA-N
Canonic Smiles
BrCC(CC(F)(F)F)(Br)F
Isomeric Smiles
BrC(CC(F)(F)F)(F)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0379295
LogD (pH = 7.4)
3.0379295
Log P
3.0379295
Molar Refractivity
36.6008
Polarizability
14.186925
Polar Surface Area
0.0
Rotatable Bonds
3
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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