Molecule

ID:98790

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉F₁₉O₂
Molecular Mass
582.2004208
Exact Mass
582.02991571
Charge
0
InChI
InChI=1S/C15H9F19O2/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3
InChIKey
KTPONRIHDUNNPD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(C(C(C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.8766026
LogD (pH = 7.4)
7.8766026
Log P
7.8766026
Molar Refractivity
73.9376
Polarizability
28.429441
Polar Surface Area
26.3
Rotatable Bonds
13
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