Molecule

ID:93065

General Information
Structure
Molecular Formula
C₄BrF₉
Molecular Mass
298.9324288
Exact Mass
297.90396598
Charge
0
InChI
InChI=1S/C4BrF9/c5-1(2(6,7)8,3(9,10)11)4(12,13)14
InChIKey
JJSXUJUWEOANEA-UHFFFAOYSA-N
Canonic Smiles
BrC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
BrC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8703346
LogD (pH = 7.4)
3.8703346
Log P
3.8703346
Molar Refractivity
30.2059
Polarizability
11.680076
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
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Molecule Details
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References
Bioactivity
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