Molecule

ID:43255

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClFNO₂
Molecular Mass
265.6674632
Exact Mass
265.03058443
Charge
0
InChI
InChI=1S/C13H9ClFNO2/c14-11-2-1-3-12(15)10(11)7-16-6-9(8-17)4-5-13(16)18/h1-6,8H,7H2
InChIKey
KDMZTSGPBFXPIH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(=O)n(c1)Cc1c(F)cccc1Cl
Isomeric Smiles
n1(Cc2c(Cl)cccc2F)c(=O)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9881953
LogD (pH = 7.4)
1.9881953
Log P
1.9881953
Molar Refractivity
67.6496
Polarizability
24.900045
Polar Surface Area
37.38
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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