Molecule

ID:100882

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₃
Molecular Mass
156.1046296
Exact Mass
156.01868476
Charge
0
InChI
InChI=1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H
InChIKey
BZXWRVPVZZZAKB-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cc(F)c(c(c1)F)F
Isomeric Smiles
Fc1c(c(cc(c1)C#C)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.552187
LogD (pH = 7.4)
2.552187
Log P
2.552187
Molar Refractivity
31.8795
Polarizability
12.127053
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