Molecule

ID:43402

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₃NO₂
Molecular Mass
281.2299096
Exact Mass
281.06636323
Charge
0
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)12-3-1-2-10(6-12)7-18-8-11(9-19)4-5-13(18)20/h1-6,8-9H,7H2
InChIKey
GVAAKVLOUBEGIP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(=O)n(c1)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cn(c(=O)cc1)Cc1cc(ccc1)C(F)(F)F)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1192973
LogD (pH = 7.4)
2.1192973
Log P
2.1192973
Molar Refractivity
68.6021
Polarizability
24.428083
Polar Surface Area
37.38
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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