Molecule

ID:9528

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₆
Molecular Mass
240.1450592
Exact Mass
240.03736951
Charge
0
InChI
InChI=1S/C10H6F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-5H,1H2
InChIKey
LFICVUCVPKKPFF-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1)C=C)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.465645
LogD (pH = 7.4)
4.465645
Log P
4.465645
Molar Refractivity
47.6917
Polarizability
16.455822
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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