Molecule
ID:99624
General Information
Molecular Formula
C₆HBrF₃I
Molecular Mass
336.8758196
Exact Mass
335.82584469
Charge
0
InChI
InChI=1S/C6HBrF3I/c7-2-1-3(8)4(9)5(10)6(2)11/h1H
InChIKey
IJOUXZJVNMNVFB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(c(c1F)F)I
Isomeric Smiles
Brc1c(c(c(c(c1)F)F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0990486
LogD (pH = 7.4)
4.0990486
Log P
4.0990486
Molar Refractivity
47.6925
Polarizability
18.518328
Polar Surface Area
0.0
Rotatable Bonds
0
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...