Molecule

ID:66096

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃
Molecular Mass
186.1736696
Exact Mass
186.06563495
Charge
0
InChI
InChI=1S/C10H9F3/c11-9-5-3-8(4-6-9)10(12,13)7-1-2-7/h3-7H,1-2H2
InChIKey
ANDRDMBZTIJWGD-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)F)(C1CC1)F
Isomeric Smiles
c1(ccc(cc1)F)C(F)(F)C1CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4055693
LogD (pH = 7.4)
3.4055693
Log P
3.4055693
Molar Refractivity
43.4632
Polarizability
16.15477
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