Molecule
ID:66058
General Information
Molecular Formula
C₁₄H₁₁F₃
Molecular Mass
236.2323496
Exact Mass
236.08128501
Charge
0
InChI
InChI=1S/C14H11F3/c15-14(16,17)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey
SHNGXCGDFPNOCG-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)Cc1ccccc1)(F)F
Isomeric Smiles
c1ccc(cc1C(F)(F)F)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9428883
LogD (pH = 7.4)
4.9428883
Log P
4.9428883
Molar Refractivity
61.7689
Polarizability
22.634865
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
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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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