Molecule

ID:68618

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₂F
Molecular Mass
243.8884832
Exact Mass
241.87009564
Charge
0
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
MMJSIYGLDQNUTH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Cl)c(c(c1)Cl)F
Isomeric Smiles
c1(c(c(cc(c1)Br)Cl)F)Cl
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
17.005497
Polar Surface Area
0.0
Rotatable Bonds
0
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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