Molecule

ID:95056

General Information
Structure
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Molecular Formula
C₇H₆ClFMg
Molecular Mass
168.8789432
Exact Mass
167.99924779
Charge
0
InChI
InChI=1S/C7H6F.ClH.Mg/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKey
PQDGQUPDDGUKLP-UHFFFAOYSA-M
Canonic Smiles
Cl[Mg]Cc1ccc(cc1)F
Isomeric Smiles
[Mg](Cc1ccc(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1965
LogD (pH = 7.4)
2.1965
Log P
2.1965
Molar Refractivity
36.7176
Polarizability
15.708539
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
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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