Molecule

ID:32115

General Information
Structure
Molecular Formula
C₈H₅F₅
Molecular Mass
196.117316
Exact Mass
196.03114126
Charge
0
InChI
InChI=1S/C8H5F5/c1-8(12,13)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
InChIKey
UPYWZWWKWDATNZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1F)C(F)(F)C)F
Isomeric Smiles
Fc1c(C(F)(F)C)c(F)c(F)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0385025
LogD (pH = 7.4)
3.0385025
Log P
3.0385025
Molar Refractivity
36.813
Polarizability
13.085206
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