Molecule

ID:98278

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₅O₂S
Molecular Mass
304.276736
Exact Mass
304.05564176
Charge
0
InChI
InChI=1S/C11H13F5O2S/c12-19(13,14,15,16)10-6-4-9(5-7-10)18-11-3-1-2-8-17-11/h4-7,11H,1-3,8H2
InChIKey
ICRKMKDGUIUYTO-UHFFFAOYSA-N
Canonic Smiles
FS(c1ccc(cc1)OC1CCCCO1)(F)(F)(F)F
Isomeric Smiles
O1CCCCC1Oc1ccc(cc1)S(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3716
LogD (pH = 7.4)
4.3716
Log P
4.3716
Molar Refractivity
63.2333
Polarizability
23.755747
Polar Surface Area
18.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
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