Molecule

ID:93463

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₂
Molecular Mass
218.2418864
Exact Mass
218.09070682
Charge
0
InChI
InChI=1S/C14H12F2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKey
PYRSXVQXDHTFMW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CCc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)CCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7950125
LogD (pH = 7.4)
4.7950125
Log P
4.7950125
Molar Refractivity
60.829
Polarizability
22.754509
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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