Molecule

ID:98350

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₂Zn
Molecular Mass
258.3688264
Exact Mass
255.86776054
Charge
0
InChI
InChI=1S/C6H3F2.BrH.Zn/c7-5-2-1-3-6(8)4-5;;/h1-2,4H;1H;/q;;+1/p-1
InChIKey
LAOBVTGKFIYNPF-UHFFFAOYSA-M
Canonic Smiles
Br[Zn]c1ccc(cc1F)F
Isomeric Smiles
[Zn](c1c(cc(cc1)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4713
LogD (pH = 7.4)
2.4713
Log P
2.4713
Molar Refractivity
34.6423
Polarizability
16.32998
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...