Molecule

ID:100520

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂F₂
Molecular Mass
271.8848864
Exact Mass
269.8491305
Charge
0
InChI
InChI=1S/C6H2Br2F2/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey
PPUZKAPOPPRMFE-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(cc1F)F
Isomeric Smiles
Fc1c(cc(c(c1)F)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.796155
LogD (pH = 7.4)
3.796155
Log P
3.796155
Molar Refractivity
41.7364
Polarizability
16.114334
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation