Molecule

ID:79867

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₆O₂
Molecular Mass
420.93012
Exact Mass
417.86554558
Charge
0
InChI
InChI=1S/C14H8Cl6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
InChIKey
JOIKRAGPPYMUPK-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1OCCOc1c(Cl)cc(cc1Cl)Cl)Cl
Isomeric Smiles
Clc1cc(cc(c1OCCOc1c(cc(cc1Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.0838923
LogD (pH = 7.4)
7.0838923
Log P
7.0838923
Molar Refractivity
91.9022
Polarizability
36.52762
Polar Surface Area
18.46
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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