Molecule

ID:98697

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₁₃I
Molecular Mass
471.9851916
Exact Mass
471.89936492
Charge
0
InChI
InChI=1S/C8H2F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H
InChIKey
WDWNMIBWWPZNJK-UHFFFAOYSA-N
Canonic Smiles
I/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(F)F)(F)C(C(F)(C(C(/C=C/I)(F)F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.926477
LogD (pH = 7.4)
5.926477
Log P
5.926477
Molar Refractivity
53.3745
Polarizability
20.684557
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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