Molecule

ID:18407

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂
Molecular Mass
247.2648632
Exact Mass
247.10085691
Charge
0
InChI
InChI=1S/C14H14FNO2/c15-11-4-6-13(7-5-11)17-8-9-18-14-3-1-2-12(16)10-14/h1-7,10H,8-9,16H2
InChIKey
OERGDFWTXIFCCQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCCOc1cccc(c1)N
Isomeric Smiles
c1c(N)cccc1OCCOc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7651136
LogD (pH = 7.4)
2.773295
Log P
2.7734
Molar Refractivity
67.9902
Polarizability
25.758762
Polar Surface Area
44.48
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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