Molecule

ID:93532

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₆
Molecular Mass
176.0597992
Exact Mass
176.00606938
Charge
0
InChI
InChI=1S/C5H2F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H
InChIKey
FHQKLIHFKVAEEP-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(F)C=CC1(F)F
Isomeric Smiles
FC1(F)C=CC(C1(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6291437
LogD (pH = 7.4)
2.6291437
Log P
2.6291437
Molar Refractivity
24.3226
Polarizability
8.680203
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