Molecule

ID:57361

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)8-4-3-7(13)5-9(8)14/h3-5H,2,6H2,1H3
InChIKey
YVLZWVABZPQWJC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)CC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)C(=O)CC(=O)C(=O)OCC)Cl
Calculated Properties
JChem
Acid pKa
7.951108
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6549327
LogD (pH = 7.4)
3.5489562
Log P
3.6564662
Molar Refractivity
67.2782
Polarizability
26.184515
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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