Molecule

ID:29949

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₆
Molecular Mass
228.1343592
Exact Mass
228.03736951
Charge
0
InChI
InChI=1S/C9H6F6/c10-8(11,12)5-6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2
InChIKey
ZDMPOTKYTHEWOD-UHFFFAOYSA-N
Canonic Smiles
FC(Cc1cccc(c1)C(F)(F)F)(F)F
Isomeric Smiles
c1(cc(ccc1)C(F)(F)F)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.999246
LogD (pH = 7.4)
3.999246
Log P
3.999246
Molar Refractivity
42.4572
Polarizability
14.861075
Polar Surface Area
0.0
Rotatable Bonds
3
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