Molecule

ID:7439

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClF₃O₃
Molecular Mass
318.6756096
Exact Mass
318.02705652
Charge
0
InChI
InChI=1S/C14H10ClF3O3/c1-2-20-13(19)10-7-11(21-12(10)14(16,17)18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3
InChIKey
MCLQZAOFPDFYKV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(oc1C(F)(F)F)c1ccc(cc1)Cl
Isomeric Smiles
c1(cc(oc1C(F)(F)F)c1ccc(cc1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.442897
LogD (pH = 7.4)
4.442897
Log P
4.442897
Molar Refractivity
71.015
Polarizability
27.459785
Polar Surface Area
39.44
Rotatable Bonds
5
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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