Molecule

ID:52997

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₂F
Molecular Mass
243.8884832
Exact Mass
241.87009564
Charge
0
InChI
InChI=1S/C6H2BrCl2F/c7-6-4(8)1-3(10)2-5(6)9/h1-2H
InChIKey
OSXAPJFZNJFFJS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(c(c1)Cl)Br
Isomeric Smiles
c1(cc(c(c(c1)Cl)Br)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0927896
LogD (pH = 7.4)
4.0927896
Log P
4.0927896
Molar Refractivity
43.5068
Polarizability
16.991888
Polar Surface Area
0.0
Rotatable Bonds
0
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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