Molecule

ID:99730

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇F₆I
Molecular Mass
416.1002692
Exact Mass
415.94966754
Charge
0
InChI
InChI=1S/C14H7F6I/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)8-1-3-12(21)4-2-8/h1-7H
InChIKey
XTJJSOHOYCCQGJ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
Ic1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.305113
LogD (pH = 7.4)
6.305113
Log P
6.305113
Molar Refractivity
76.5041
Polarizability
28.955067
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
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Molecule Details
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References
Bioactivity
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