Molecule

ID:69710

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FNO₂
Molecular Mass
209.2168832
Exact Mass
209.08520685
Charge
0
InChI
InChI=1S/C11H12FNO2/c12-11-7-10(2-1-9(11)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChIKey
UEKCASSBRLOEDR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1F)N1CCOCC1
Isomeric Smiles
C(=O)c1c(cc(cc1)N1CCOCC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7179935
LogD (pH = 7.4)
1.7179935
Log P
1.7179935
Molar Refractivity
56.3615
Polarizability
20.401693
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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