Molecule

ID:97791

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₂F
Molecular Mass
243.8884832
Exact Mass
241.87009564
Charge
0
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChIKey
CBJHQGPVASQJFW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1Cl)Cl)Br
Isomeric Smiles
Brc1c(c(c(cc1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0927896
LogD (pH = 7.4)
4.0927896
Log P
4.0927896
Molar Refractivity
43.5068
Polarizability
17.020525
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