Molecule

ID:8842

General Information
Structure
MolImage
Molecular Formula
C₁₅H₅F₂₀IO₃S
Molecular Mass
772.135934
Exact Mass
771.86847742
Charge
0
InChI
InChI=1S/C14H5F17I.CHF3O3S/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)32-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
InChIKey
LQSJCHNACSIGQK-UHFFFAOYSA-M
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C([I+]c1ccccc1)(F)F)F.[O-]S(=O)(=O)C(F)(F)F
Isomeric Smiles
c1cccc(c1)[I+]C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[O-]S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.839081
LogD (pH = 7.4)
8.839081
Log P
8.839081
Molar Refractivity
79.1932
Polarizability
32.512547
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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