Molecule

ID:15261

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂F₃
Molecular Mass
235.0741496
Exact Mass
234.01899037
Charge
0
InChI
InChI=1S/C8H11Cl2F3/c9-7(11,8(10,12)13)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
NTMQOCVGFBDYTB-UHFFFAOYSA-N
Canonic Smiles
FC(C(Cl)(F)F)(C1CCCCC1)Cl
Isomeric Smiles
C1CCCC(C1)C(C(Cl)(F)F)(Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4673104
LogD (pH = 7.4)
4.4673104
Log P
4.4673104
Molar Refractivity
47.6406
Polarizability
17.997044
Polar Surface Area
0.0
Rotatable Bonds
2
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