Molecule

ID:96809

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrFIZn
Molecular Mass
366.2748932
Exact Mass
363.77383032
Charge
0
InChI
InChI=1S/C6H3BrF.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
InChIKey
QRURAODMCAUCHJ-UHFFFAOYSA-M
Canonic Smiles
I[Zn]c1ccc(c(c1)F)Br
Isomeric Smiles
[Zn](c1cc(c(cc1)Br)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1221
LogD (pH = 7.4)
3.1221
Log P
3.1221
Molar Refractivity
46.6543
Polarizability
21.90966
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
No Data Available
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Molecule Details
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References
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Bioactivity
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