Molecule

ID:98987

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇F₃O₂
Molecular Mass
226.2359896
Exact Mass
226.11806444
Charge
0
InChI
InChI=1S/C10H17F3O2/c1-2-3-4-6-9(14)15-8-5-7-10(11,12)13/h2-8H2,1H3
InChIKey
BMMXYUIMFXZJIE-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)OCCCC(F)(F)F
Isomeric Smiles
FC(F)(F)CCCOC(=O)CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4708507
LogD (pH = 7.4)
3.4708507
Log P
3.4708507
Molar Refractivity
50.4996
Polarizability
19.310688
Polar Surface Area
26.3
Rotatable Bonds
9
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