Molecule

ID:94687

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆Cl₂F₁₀
Molecular Mass
459.108872
Exact Mass
457.96868775
Charge
0
InChI
InChI=1S/C16H6Cl2F10/c17-11-3-1-7(5-9(11)15(23,24)25)13(19,20)14(21,22)8-2-4-12(18)10(6-8)16(26,27)28/h1-6H
InChIKey
GMAYEXCRHRVTTN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C(F)(F)F)C(C(c1ccc(c(c1)C(F)(F)F)Cl)(F)F)(F)F
Isomeric Smiles
Clc1ccc(cc1C(F)(F)F)C(C(c1cc(c(cc1)Cl)C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.985543
LogD (pH = 7.4)
7.985543
Log P
7.985543
Molar Refractivity
82.0872
Polarizability
29.736729
Polar Surface Area
0.0
Rotatable Bonds
5
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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