Molecule

ID:95191

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₆N
Molecular Mass
239.1172392
Exact Mass
239.01696842
Charge
0
InChI
InChI=1S/C9H3F6N/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3H
InChIKey
ANWBHDYEEOSTSE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(c(ccc1)C(F)(F)F)C#N)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.585039
LogD (pH = 7.4)
3.585039
Log P
3.585039
Molar Refractivity
43.727
Polarizability
15.044278
Polar Surface Area
23.79
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