Molecule

ID:94458

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈BrFMg
Molecular Mass
275.3993232
Exact Mass
273.96438218
Charge
0
InChI
InChI=1S/C12H8F.BrH.Mg/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h1-4,6-9H;1H;/q;;+1/p-1
InChIKey
NQSUQAQPOPPGIN-UHFFFAOYSA-M
Canonic Smiles
Br[Mg]c1ccc(c(c1)F)c1ccccc1
Isomeric Smiles
Fc1c(ccc(c1)[Mg]Br)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6112
LogD (pH = 7.4)
3.6112
Log P
3.6112
Molar Refractivity
59.5621
Polarizability
25.475494
Polar Surface Area
0.0
Rotatable Bonds
2
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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