Molecule

ID:56946

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉BrClFO₂
Molecular Mass
343.5754632
Exact Mass
341.94584743
Charge
0
InChI
InChI=1S/C14H9BrClFO2/c15-10-5-6-13(11(7-10)14(16)18)19-8-9-3-1-2-4-12(9)17/h1-7H,8H2
InChIKey
DLGAGTJAPGJNQC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(=O)Cl)OCc1ccccc1F
Isomeric Smiles
c1(cc(c(cc1)OCc1ccccc1F)C(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6424146
LogD (pH = 7.4)
4.6424146
Log P
4.6424146
Molar Refractivity
76.0877
Polarizability
28.787043
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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