Molecule

ID:97350

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₁₃I
Molecular Mass
474.0010716
Exact Mass
473.91501499
Charge
0
InChI
InChI=1S/C8H4F13I/c9-4(10,5(11,12)8(19,20)21)3(1-2-22,6(13,14)15)7(16,17)18/h1-2H2
InChIKey
SHTVHUOLQCOSDS-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(F)(C(F)(F)C(C(F)(F)F)(C(F)(F)F)CCI)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.85732
LogD (pH = 7.4)
5.85732
Log P
5.85732
Molar Refractivity
54.5753
Polarizability
20.928286
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
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