Molecule

ID:95062

General Information
Structure
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Molecular Formula
C₇H₂BrF₅Zn
Molecular Mass
326.366796
Exact Mass
323.85514516
Charge
0
InChI
InChI=1S/C7H2F5.BrH.Zn/c1-2-3(8)5(10)7(12)6(11)4(2)9;;/h1H2;1H;/q;;+1/p-1
InChIKey
WAKJCJJTVRCONB-UHFFFAOYSA-M
Canonic Smiles
Br[Zn]Cc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
[Zn](Cc1c(c(c(c(c1F)F)F)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0551
LogD (pH = 7.4)
3.0551
Log P
3.0551
Molar Refractivity
40.1821
Polarizability
18.073954
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
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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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