Molecule

ID:6566

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₂F
Molecular Mass
243.8884832
Exact Mass
241.87009564
Charge
0
InChI
InChI=1S/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
InChIKey
CAYJMDVKWMVOLG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(F)c(c(c1)Br)Cl
Isomeric Smiles
c1(cc(c(c(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
16.993143
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
No Data Available
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Molecule Details
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References
Bioactivity
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