Molecule
ID:98989
General Information
Molecular Formula
C₁₀H₅F₁₅O₃
Molecular Mass
458.120948
Exact Mass
457.99991732
Charge
0
InChI
InChI=1S/C10H5F15O3/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)10(24,25)28-7(17,8(18,19)20)9(21,22)23/h2H2,1H3
InChIKey
JKIBXEUXUXYAHU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.900286
LogD (pH = 7.4)
5.900286
Log P
5.900286
Molar Refractivity
53.9909
Polarizability
20.875244
Polar Surface Area
35.53
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...