Molecule

ID:94985

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₃I
Molecular Mass
257.9797596
Exact Mass
257.91533272
Charge
0
InChI
InChI=1S/C6H2F3I/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey
UPCKPWDYXMTASO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(I)c(cc1F)F
Isomeric Smiles
Ic1c(cc(c(c1)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.330296
LogD (pH = 7.4)
3.330296
Log P
3.330296
Molar Refractivity
40.0697
Polarizability
15.243087
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