Molecule

ID:98744

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrFMg
Molecular Mass
199.3033632
Exact Mass
197.93308205
Charge
0
InChI
InChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
InChIKey
QYBFFRXNNFXREA-UHFFFAOYSA-M
Canonic Smiles
Br[Mg]c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)[Mg]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9268
LogD (pH = 7.4)
1.9268
Log P
1.9268
Molar Refractivity
34.4259
Polarizability
14.826846
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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