Molecule

ID:54356

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₃NO₂
Molecular Mass
281.2299096
Exact Mass
281.06636323
Charge
0
InChI
InChI=1S/C14H10F3NO2/c1-20-13(19)10-4-2-3-9(7-10)12-8-11(5-6-18-12)14(15,16)17/h2-8H,1H3
InChIKey
BUUGHRUFWFEDAT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1nccc(c1)C(F)(F)F
Isomeric Smiles
c1cnc(cc1C(F)(F)F)c1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6537852
LogD (pH = 7.4)
3.6697667
Log P
3.6699746
Molar Refractivity
66.6643
Polarizability
25.817099
Polar Surface Area
39.19
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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