Molecule

ID:8727

General Information
Structure
MolImage
Molecular Formula
C₄Br₂F₆
Molecular Mass
321.8412192
Exact Mass
319.82709332
Charge
0
InChI
InChI=1S/C4Br2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
InChIKey
HLCPJMKKTKDOGB-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(F)C(C1(F)Br)(F)Br
Isomeric Smiles
C1(C(C(C1(Br)F)(Br)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.664392
LogD (pH = 7.4)
3.664392
Log P
3.664392
Molar Refractivity
34.1422
Polarizability
13.872511
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