Molecule

ID:100717

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₂F₃Hg
Molecular Mass
518.5185096
Exact Mass
517.84165182
Charge
0
InChI
InChI=1S/C6H5.C2Br2F3.Hg/c1-2-4-6-5-3-1;3-1(4)2(5,6)7;/h1-5H;;
InChIKey
NKTSZIULASCAHI-UHFFFAOYSA-N
Canonic Smiles
BrC(C(F)(F)F)([Hg]c1ccccc1)Br
Isomeric Smiles
[Hg](c1ccccc1)C(C(F)(F)F)(Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7672
LogD (pH = 7.4)
3.7672
Log P
3.7672
Molar Refractivity
52.7092
Polarizability
27.412188
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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