Molecule

ID:10586

General Information
Structure
MolImage
Molecular Formula
C₆BrCl₂F₃
Molecular Mass
279.8694096
Exact Mass
277.85125202
Charge
0
InChI
InChI=1S/C6BrCl2F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
CZFXDIJFSGMXRV-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)c(F)c(c(c1Cl)F)Br
Isomeric Smiles
c1(c(c(c(c(c1F)Br)F)Cl)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3781934
LogD (pH = 7.4)
4.3781934
Log P
4.3781934
Molar Refractivity
43.9396
Polarizability
16.985332
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
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Molecule Details
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References
Bioactivity
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