Molecule

ID:54352

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₃NO₂
Molecular Mass
295.2564896
Exact Mass
295.08201329
Charge
0
InChI
InChI=1S/C15H12F3NO2/c1-2-21-14(20)11-5-3-10(4-6-11)13-8-7-12(9-19-13)15(16,17)18/h3-9H,2H2,1H3
InChIKey
OEECKPAOETZACY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
C(=O)(OCC)c1ccc(cc1)c1ccc(cn1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0247335
LogD (pH = 7.4)
4.026757
Log P
4.0267825
Molar Refractivity
71.4129
Polarizability
27.640285
Polar Surface Area
39.19
Rotatable Bonds
5
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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