Molecule

ID:66095

General Information
Structure
Molecular Formula
C₁₁H₁₁F₃
Molecular Mass
200.2002496
Exact Mass
200.08128501
Charge
0
InChI
InChI=1S/C11H11F3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKey
WRARIAWAMPJVOY-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc2c1CCCC2)(F)F
Isomeric Smiles
C1CCCc2c(cccc12)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3033485
LogD (pH = 7.4)
4.3033485
Log P
4.3033485
Molar Refractivity
49.5139
Polarizability
17.858227
Polar Surface Area
0.0
Rotatable Bonds
1
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