Molecule

ID:32124

General Information
Structure
Molecular Formula
C₁₃H₉F₃
Molecular Mass
222.2057696
Exact Mass
222.06563495
Charge
0
InChI
InChI=1S/C13H9F3/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKey
YVUALNIFEKYYHM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1ccccc1)(F)F
Isomeric Smiles
c1cc(ccc1F)C(c1ccccc1)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4638157
LogD (pH = 7.4)
4.4638157
Log P
4.4638157
Molar Refractivity
56.0786
Polarizability
20.836685
Polar Surface Area
0.0
Rotatable Bonds
2
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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