Molecule

ID:20249

General Information
Structure
Molecular Formula
C₁₅H₂₀F₃NO
Molecular Mass
287.3206096
Exact Mass
287.14969893
Charge
0
InChI
InChI=1S/C15H20F3NO/c16-15(17,18)13-10-12(6-7-14(13)19)20-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,19H2
InChIKey
ZKYJQVCHRDGZHK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)OCCC1CCCCC1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCC1CCCCC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.343715
LogD (pH = 7.4)
4.345374
Log P
4.345395
Molar Refractivity
73.6183
Polarizability
27.181555
Polar Surface Area
35.25
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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