Molecule

ID:20267

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇F₃N₂O₂
Molecular Mass
290.2814896
Exact Mass
290.12421245
Charge
0
InChI
InChI=1S/C13H17F3N2O2/c14-13(15,16)11-9-10(1-2-12(11)17)20-8-5-18-3-6-19-7-4-18/h1-2,9H,3-8,17H2
InChIKey
CYKHBCYAOBGAPJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)OCCN1CCOCC1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCN1CCOCC1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.48395061
LogD (pH = 7.4)
1.5932322
Log P
1.6646411
Molar Refractivity
70.2889
Polarizability
25.836887
Polar Surface Area
47.72
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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