Molecule

ID:32093

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂F₂
Molecular Mass
273.1054264
Exact Mass
271.99711206
Charge
0
InChI
InChI=1S/C13H8Cl2F2/c14-10-6-7-12(15)11(8-10)13(16,17)9-4-2-1-3-5-9/h1-8H
InChIKey
HBOQAJVHNVMPJM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(c1ccccc1)(F)F)Cl
Isomeric Smiles
FC(F)(c1ccccc1)c1c(Cl)ccc(c1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5292034
LogD (pH = 7.4)
5.5292034
Log P
5.5292034
Molar Refractivity
65.4718
Polarizability
24.957779
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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