Molecule

ID:8877

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀F₅I
Molecular Mass
328.061486
Exact Mass
327.97473942
Charge
0
InChI
InChI=1S/C8H10F5I/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)14/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKey
DSLYPUILDQBYTC-PHDIDXHHSA-N
Canonic Smiles
I[C@@H]1CCCC[C@H]1C(C(F)(F)F)(F)F
Isomeric Smiles
C1CC[C@H]([C@@H](C1)I)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.568144
LogD (pH = 7.4)
4.568144
Log P
4.568144
Molar Refractivity
50.5284
Polarizability
19.48381
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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