Molecule

ID:11097

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FNO₂
Molecular Mass
273.3021432
Exact Mass
273.11650698
Charge
0
InChI
InChI=1S/C16H16FNO2/c17-14-4-2-1-3-13(14)7-8-18-10-12-5-6-15-16(9-12)20-11-19-15/h1-6,9,18H,7-8,10-11H2
InChIKey
NKLUAVMOIRKEFE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CCNCc1ccc2c(c1)OCO2
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCCc1c(F)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.15635255
LogD (pH = 7.4)
1.3381523
Log P
3.3106644
Molar Refractivity
74.6569
Polarizability
29.009748
Polar Surface Area
30.49
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
No Data Available
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Molecule Details
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References
Bioactivity
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