Molecule
ID:66066
General Information
Molecular Formula
C₁₄H₁₂F₂
Molecular Mass
218.2418864
Exact Mass
218.09070682
Charge
0
InChI
InChI=1S/C14H12F2/c1-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
GZTDCDZPTUSABU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)c1ccccc1)(F)F
Isomeric Smiles
c1(ccc(cc1)C(C)(F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.257622
LogD (pH = 7.4)
4.257622
Log P
4.257622
Molar Refractivity
61.3
Polarizability
24.308138
Polar Surface Area
0.0
Rotatable Bonds
2
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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