Molecule

ID:98701

General Information
Structure
MolImage
Molecular Formula
C₁₀F₂₂
Molecular Mass
538.0718704
Exact Mass
537.96487084
Charge
0
InChI
InChI=1S/C10F22/c11-1(7(21,22)23,8(24,25)26)3(13,14)5(17,18)6(19,20)4(15,16)2(12,9(27,28)29)10(30,31)32
InChIKey
OBAVAMUHCSFDSY-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F
Isomeric Smiles
FC(F)(C(F)(F)C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.163532
LogD (pH = 7.4)
7.163532
Log P
7.163532
Molar Refractivity
50.7614
Polarizability
20.133818
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
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