Molecule

ID:32136

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₆
Molecular Mass
242.1609392
Exact Mass
242.05301958
Charge
0
InChI
InChI=1S/C10H8F6/c1-2-9(12,13)6-3-4-8(11)7(5-6)10(14,15)16/h3-5H,2H2,1H3
InChIKey
XMWMPCNTJXSYQU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)C(F)(F)F)F)(F)F
Isomeric Smiles
FC(F)(CC)c1cc(C(F)(F)F)c(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.26782
LogD (pH = 7.4)
4.26782
Log P
4.26782
Molar Refractivity
46.8227
Polarizability
16.624704
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