Molecule

ID:56953

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂FO₂
Molecular Mass
299.1244632
Exact Mass
297.99636311
Charge
0
InChI
InChI=1S/C14H9Cl2FO2/c15-10-3-6-13(12(7-10)14(16)18)19-8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKey
AGXAJOHSPMEURE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COc1ccc(cc1C(=O)Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1ccc(cc1)F)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.477707
LogD (pH = 7.4)
4.477707
Log P
4.477707
Molar Refractivity
73.2697
Polarizability
27.79565
Polar Surface Area
26.3
Rotatable Bonds
4
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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