Molecule

ID:57353

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂O₄
Molecular Mass
289.1114
Exact Mass
287.99561416
Charge
0
InChI
InChI=1S/C12H10Cl2O4/c1-2-18-12(17)11(16)6-10(15)7-3-4-8(13)9(14)5-7/h3-5H,2,6H2,1H3
InChIKey
MGKHGIRYXQBVSF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)CC(=O)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1c(ccc(c1Cl)Cl)C(=O)CC(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.743733
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6562185
LogD (pH = 7.4)
3.6372309
Log P
3.6564662
Molar Refractivity
67.2782
Polarizability
26.19687
Polar Surface Area
60.44
Rotatable Bonds
6
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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