Molecule

ID:99137

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁F₃
Molecular Mass
164.1681496
Exact Mass
164.08128501
Charge
0
InChI
InChI=1S/C8H11F3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
PHLOCCSLPHZEHM-UHFFFAOYSA-N
Canonic Smiles
FC(=C(F)F)C1CCCCC1
Isomeric Smiles
FC(=C(C1CCCCC1)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9716282
LogD (pH = 7.4)
2.9716282
Log P
2.9716282
Molar Refractivity
48.1341
Polarizability
13.814572
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