Molecule

ID:6429

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂F₆
Molecular Mass
318.2568992
Exact Mass
318.0843197
Charge
0
InChI
InChI=1S/C16H12F6/c17-15(18,19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2
InChIKey
OBMDBKNYJGWWJX-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1CCc1ccccc1C(F)(F)F)(F)F
Isomeric Smiles
c1(CCc2c(cccc2)C(F)(F)F)c(cccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.2653055
LogD (pH = 7.4)
6.2653055
Log P
6.2653055
Molar Refractivity
72.3436
Polarizability
25.724836
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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