Molecule

ID:97588

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₉
Molecular Mass
260.1002288
Exact Mass
260.02475414
Charge
0
InChI
InChI=1S/C7H5F9/c1-2-3-4(8,6(11,12)13)5(9,10)7(14,15)16/h2-3H,1H3
InChIKey
SNFOQVRVBOHYAF-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(C(/C=C/C)(C(C(F)(F)F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0847707
LogD (pH = 7.4)
4.0847707
Log P
4.0847707
Molar Refractivity
36.5334
Polarizability
12.936366
Polar Surface Area
0.0
Rotatable Bonds
4
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