Molecule

ID:20420

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO₂
Molecular Mass
207.2010032
Exact Mass
207.06955679
Charge
0
InChI
InChI=1S/C11H10FNO2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h1-6H,7,13H2
InChIKey
SUJYRSFKPHTQBH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OCc1ccco1
Isomeric Smiles
c1(cc(N)ccc1OCc1occc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9046105
LogD (pH = 7.4)
1.9139498
Log P
1.9140702
Molar Refractivity
54.4415
Polarizability
20.142784
Polar Surface Area
48.39
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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