Molecule

ID:98262

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₂Mg
Molecular Mass
217.2938264
Exact Mass
215.92366024
Charge
0
InChI
InChI=1S/C6H3F2.BrH.Mg/c7-5-2-1-3-6(8)4-5;;/h2-4H;1H;/q;;+1/p-1
InChIKey
CURGXPMIRCWEDB-UHFFFAOYSA-M
Canonic Smiles
Br[Mg]c1cc(F)cc(c1)F
Isomeric Smiles
Fc1cc(cc(c1)F)[Mg]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0663
LogD (pH = 7.4)
2.0663
Log P
2.0663
Molar Refractivity
34.6423
Polarizability
14.746164
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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