Molecule

ID:93598

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₉
Molecular Mass
324.9697088
Exact Mass
323.91961604
Charge
0
InChI
InChI=1S/C6H2BrF9/c7-2-1-3(4(8,9)10,5(11,12)13)6(14,15)16/h1-2H
InChIKey
DSSNVMZDEOYQBQ-UHFFFAOYSA-N
Canonic Smiles
Br/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
Br/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1002655
LogD (pH = 7.4)
4.1002655
Log P
4.1002655
Molar Refractivity
39.6911
Polarizability
14.591023
Polar Surface Area
0.0
Rotatable Bonds
4
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