Molecule

ID:93621

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃
Molecular Mass
160.1363896
Exact Mass
160.04998488
Charge
0
InChI
InChI=1S/C8H7F3/c1-4-6(9)3-7(10)5(2)8(4)11/h3H,1-2H3
InChIKey
BCEDZJPANXVVPS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1C)F)C
Isomeric Smiles
Fc1c(c(cc(c1C)F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4281945
LogD (pH = 7.4)
3.4281945
Log P
3.4281945
Molar Refractivity
36.7896
Polarizability
13.06037
Polar Surface Area
0.0
Rotatable Bonds
0
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