Molecule

ID:115259

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₃
Molecular Mass
221.1845232
Exact Mass
221.04882134
Charge
0
InChI
InChI=1S/C11H8FNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKey
UJELOQIDIAROPA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1ccccc1F
Isomeric Smiles
c1(cc(on1)c1c(F)cccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.237047
LogD (pH = 7.4)
2.237047
Log P
2.237047
Molar Refractivity
54.3834
Polarizability
21.406303
Polar Surface Area
52.33
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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