Molecule

ID:20407

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈FNO
Molecular Mass
223.2865232
Exact Mass
223.13724242
Charge
0
InChI
InChI=1S/C13H18FNO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,15H2
InChIKey
PKFGWMJMGKMKII-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OCC1CCCCC1
Isomeric Smiles
c1(cc(N)ccc1OCC1CCCCC1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2253768
LogD (pH = 7.4)
3.2433991
Log P
3.2436337
Molar Refractivity
63.183
Polarizability
23.961102
Polar Surface Area
35.25
Rotatable Bonds
3
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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