Molecule

ID:100731

General Information
Structure
Molecular Formula
C₇H₆BrFZn
Molecular Mass
254.4049432
Exact Mass
251.89283241
Charge
0
InChI
InChI=1S/C7H6F.BrH.Zn/c1-6-3-2-4-7(8)5-6;;/h2-3,5H,1H3;1H;/q;;+1/p-1
InChIKey
LPTSWRVHPNSZJN-UHFFFAOYSA-M
Canonic Smiles
Br[Zn]c1ccc(cc1F)C
Isomeric Smiles
[Zn](c1c(cc(cc1)C)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.799
LogD (pH = 7.4)
2.799
Log P
2.799
Molar Refractivity
39.4671
Polarizability
18.077274
Polar Surface Area
0.0
Rotatable Bonds
1
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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