Molecule

ID:97485

General Information
Structure
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Molecular Formula
C₇H₆BrFMg
Molecular Mass
213.3299432
Exact Mass
211.94873211
Charge
0
InChI
InChI=1S/C7H6F.BrH.Mg/c1-6-2-4-7(8)5-3-6;;/h2,4-5H,1H3;1H;/q;;+1/p-1
InChIKey
XKMSJPVAJJFYFU-UHFFFAOYSA-M
Canonic Smiles
Br[Mg]c1cc(F)ccc1C
Isomeric Smiles
[Mg](c1c(ccc(c1)F)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.394
LogD (pH = 7.4)
2.394
Log P
2.394
Molar Refractivity
39.4671
Polarizability
16.549
Polar Surface Area
0.0
Rotatable Bonds
1
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
No Data Available
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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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