Molecule

ID:95427

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈FNO₂
Molecular Mass
333.4402232
Exact Mass
333.21040736
Charge
0
InChI
InChI=1S/C20H28FNO2/c1-2-3-4-5-6-10-16-12-9-14-19(16)22-24-20(23)15-17-11-7-8-13-18(17)21/h7-8,11,13,16H,2-6,9-10,12,14-15H2,1H3
InChIKey
JQUHFWHRJZMUHG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC1CCC/C/1=N\OC(=O)Cc1ccccc1F
Isomeric Smiles
N(=C\1/C(CCC1)CCCCCCC)\OC(=O)Cc1c(cccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3833957
LogD (pH = 7.4)
6.3834376
Log P
6.3834386
Molar Refractivity
93.7384
Polarizability
36.521694
Polar Surface Area
38.66
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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