Molecule

ID:93595

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₇I
Molecular Mass
338.0051324
Exact Mass
337.94024573
Charge
0
InChI
InChI=1S/C6H6F7I/c1-3(14)2-4(7,5(8,9)10)6(11,12)13/h3H,2H2,1H3
InChIKey
DOOITBZJYVIFEO-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(F)(F)F)(C(F)(F)F)F)I
Isomeric Smiles
FC(C(F)(F)F)(CC(C)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9192626
LogD (pH = 7.4)
3.9192626
Log P
3.9192626
Molar Refractivity
43.9381
Polarizability
16.88078
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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