Molecule

ID:94709

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂F₂
Molecular Mass
271.8848864
Exact Mass
269.8491305
Charge
0
InChI
InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
InChIKey
GABNJPUNFZFOJE-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)Br)Br
Isomeric Smiles
Brc1c(c(cc(c1)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.796155
LogD (pH = 7.4)
3.796155
Log P
3.796155
Molar Refractivity
41.7364
Polarizability
16.113503
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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