Molecule
ID:66141
General Information
Molecular Formula
C₁₀H₁₀F₂
Molecular Mass
168.1832064
Exact Mass
168.07505676
Charge
0
InChI
InChI=1S/C10H10F2/c11-10(12,9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
IODBYEJURXZPLZ-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1)(C1CC1)F
Isomeric Smiles
c1(ccccc1)C(F)(F)C1CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2628672
LogD (pH = 7.4)
3.2628672
Log P
3.2628672
Molar Refractivity
43.2468
Polarizability
16.364704
Polar Surface Area
0.0
Rotatable Bonds
2
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...