Molecule

ID:41268

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClFNO₃
Molecular Mass
269.6561632
Exact Mass
269.02549905
Charge
0
InChI
InChI=1S/C12H9ClFNO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3
InChIKey
VUXXAVIGDIIYBQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)onc1c1c(F)cccc1Cl
Isomeric Smiles
c1(c(c(on1)C)C(=O)OC)c1c(Cl)cccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3206518
LogD (pH = 7.4)
3.3206518
Log P
3.3206518
Molar Refractivity
64.4604
Polarizability
25.103638
Polar Surface Area
52.33
Rotatable Bonds
2
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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