Molecule

ID:56919

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃Cl₂FO₃
Molecular Mass
343.1770232
Exact Mass
342.02257786
Charge
0
InChI
InChI=1S/C16H13Cl2FO3/c1-2-21-15-7-10(16(18)20)4-6-14(15)22-9-11-3-5-12(19)8-13(11)17/h3-8H,2,9H2,1H3
InChIKey
KCEPKGAEXPISOU-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1ccc(cc1Cl)F)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1ccc(cc1Cl)F)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6768436
LogD (pH = 7.4)
4.6768436
Log P
4.6768436
Molar Refractivity
84.4815
Polarizability
32.183823
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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