Molecule

ID:9821

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆F₆I₂
Molecular Mass
541.9967992
Exact Mass
541.84631551
Charge
0
InChI
InChI=1S/C14H6F6I2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H
InChIKey
OQUYDTUCILYGGP-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)I
Isomeric Smiles
c1(c2c(cc(cc2)I)C(F)(F)F)c(cc(cc1)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.234057
LogD (pH = 7.4)
7.234057
Log P
7.234057
Molar Refractivity
89.8666
Polarizability
34.539223
Polar Surface Area
0.0
Rotatable Bonds
3
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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