Molecule

ID:14751

General Information
Structure
Molecular Formula
C₁₃H₂₀FNO
Molecular Mass
225.3024032
Exact Mass
225.15289249
Charge
0
InChI
InChI=1S/C13H20FNO/c1-11(2)16-9-3-8-15-10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKey
LUFDYKILGIUBBK-UHFFFAOYSA-N
Canonic Smiles
CC(OCCCNCc1ccc(cc1)F)C
Isomeric Smiles
c1(ccc(cc1)F)CNCCCOC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7154117
LogD (pH = 7.4)
0.36259913
Log P
2.4606638
Molar Refractivity
64.5987
Polarizability
25.081709
Polar Surface Area
21.26
Rotatable Bonds
7
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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