Molecule

ID:97488

General Information
Structure
Molecular Formula
C₉F₁₈O₃
Molecular Mass
498.0657576
Exact Mass
497.95600182
Charge
0
InChI
InChI=1S/C9F18O3/c10-1(4(13,14)15)7(22,23)29-3(12,6(19,20)21)9(26,27)30-2(11,5(16,17)18)8(24,25)28-1
InChIKey
UEXDCEZOKVSKBM-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)OC(F)(F)C(F)(OC(C(OC1(F)F)(F)C(F)(F)F)(F)F)C(F)(F)F)(F)F
Isomeric Smiles
O1C(C(OC(C(OC(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.16002
LogD (pH = 7.4)
7.16002
Log P
7.16002
Molar Refractivity
50.4459
Polarizability
19.749123
Polar Surface Area
27.69
Rotatable Bonds
3
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