Molecule

ID:97529

General Information
Structure
MolImage
Molecular Formula
C₄F₉IO₂
Molecular Mass
377.9316988
Exact Mass
377.87993122
Charge
0
InChI
InChI=1S/C4F9IO2/c5-1(6,15-3(9,10)11)2(7,8)16-4(12,13)14
InChIKey
HWWASZGFIYQTSO-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(OC(I)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(F)(F)C(OC(I)(F)F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6657
LogD (pH = 7.4)
5.6657
Log P
5.6657
Molar Refractivity
34.788
Polarizability
15.6493025
Polar Surface Area
18.46
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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