Molecule

ID:97592

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₉I
Molecular Mass
388.0126388
Exact Mass
387.93705217
Charge
0
InChI
InChI=1S/C7H6F9I/c1-3(17)2-4(8,6(11,12)13)5(9,10)7(14,15)16/h3H,2H2,1H3
InChIKey
WLYIWDUYKMKZDR-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F)I
Isomeric Smiles
FC(F)(C(F)(C(C(F)(F)F)(F)CC(C)I)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6199055
LogD (pH = 7.4)
4.6199055
Log P
4.6199055
Molar Refractivity
48.6061
Polarizability
18.758577
Polar Surface Area
0.0
Rotatable Bonds
5
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