Molecule

ID:32126

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₆
Molecular Mass
290.2037392
Exact Mass
290.05301958
Charge
0
InChI
InChI=1S/C14H8F6/c15-12-8-10(6-7-11(12)14(18,19)20)13(16,17)9-4-2-1-3-5-9/h1-8H
InChIKey
OATPJHOIFUCJHS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1C(F)(F)F)C(c1ccccc1)(F)F
Isomeric Smiles
FC(F)(c1ccccc1)c1cc(c(cc1)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3416643
LogD (pH = 7.4)
5.3416643
Log P
5.3416643
Molar Refractivity
62.0523
Polarizability
22.23831
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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