Molecule

ID:108849

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₄O₄
Molecular Mass
380.00704
Exact Mass
377.90201939
Charge
0
InChI
InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKey
WRXCBRHBHGNNQA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)OOC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
Clc1ccc(C(=O)OOC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.363111
LogD (pH = 7.4)
6.363111
Log P
6.363111
Molar Refractivity
83.9924
Polarizability
32.874012
Polar Surface Area
52.6
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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