Molecule

ID:128694

General Information
Structure
MolImage
Molecular Formula
C₁₂Cl₈O₂
Molecular Mass
459.7512
Exact Mass
455.74065068
Charge
0
InChI
InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
InChIKey
FOIBFBMSLDGNHL-UHFFFAOYSA-N
Canonic Smiles
Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl
Isomeric Smiles
Clc1c2c(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O2)c(Cl)c(Cl)c1Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.832932
LogD (pH = 7.4)
7.832932
Log P
7.832932
Molar Refractivity
90.92
Polarizability
36.450314
Polar Surface Area
18.46
Rotatable Bonds
0
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
References
Bioactivity
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