Molecule

ID:95128

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrF₂Mg
Molecular Mass
231.3204064
Exact Mass
229.9393103
Charge
0
InChI
InChI=1S/C7H5F2.BrH.Mg/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q;;+1/p-1
InChIKey
XDAZDGMKYDLAIW-UHFFFAOYSA-M
Canonic Smiles
Br[Mg]Cc1ccc(c(c1)F)F
Isomeric Smiles
[Mg](Cc1cc(c(cc1)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6366
LogD (pH = 7.4)
2.6366
Log P
2.6366
Molar Refractivity
39.5329
Polarizability
16.492683
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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