Molecule

ID:54696

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₂O
Molecular Mass
234.2412864
Exact Mass
234.08562144
Charge
0
InChI
InChI=1S/C14H12F2O/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
LFDJCWRYXCAVSC-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)OCc1ccccc1)F
Isomeric Smiles
c1(ccc(cc1)C(F)F)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9291356
LogD (pH = 7.4)
3.9291356
Log P
3.9291356
Molar Refractivity
62.2178
Polarizability
23.652363
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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