Molecule

ID:18406

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂
Molecular Mass
247.2648632
Exact Mass
247.10085691
Charge
0
InChI
InChI=1S/C14H14FNO2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10,16H2
InChIKey
KNFNJDGLCVUSIA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCOc1ccc(cc1)F
Isomeric Smiles
c1(N)ccc(cc1)OCCOc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6778452
LogD (pH = 7.4)
2.7720547
Log P
2.7734
Molar Refractivity
67.9902
Polarizability
25.7576
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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