Molecule

ID:94802

General Information
Structure
MolImage
Molecular Formula
C₁₁H₃F₁₇O₂
Molecular Mass
490.1131744
Exact Mass
489.98615908
Charge
0
InChI
InChI=1S/C11H3F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1H2
InChIKey
PQEMXLVPFPSANM-UHFFFAOYSA-N
Canonic Smiles
C=COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(=O)OC=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.4640503
LogD (pH = 7.4)
6.4640503
Log P
6.4640503
Molar Refractivity
54.7912
Polarizability
21.692743
Polar Surface Area
26.3
Rotatable Bonds
10
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