Molecule
ID:66059
General Information
Molecular Formula
C₁₄H₁₇F₃
Molecular Mass
242.2799896
Exact Mass
242.1282352
Charge
0
InChI
InChI=1S/C14H17F3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey
CMTQUSAYGXQXLH-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1ccccc1)C1CCCCC1)(F)F
Isomeric Smiles
c1(ccccc1)C(C(F)(F)F)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.097117
LogD (pH = 7.4)
5.097117
Log P
5.097117
Molar Refractivity
62.2571
Polarizability
23.39558
Polar Surface Area
0.0
Rotatable Bonds
3
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...