Molecule

ID:75678

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₃
Molecular Mass
286.11076
Exact Mass
284.99594851
Charge
0
InChI
InChI=1S/C12H9Cl2NO3/c1-2-17-12(16)10-11(18-6-15-10)7-4-3-5-8(13)9(7)14/h3-6H,2H2,1H3
InChIKey
AJTQIRIQDDBKNL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncoc1c1cccc(c1Cl)Cl
Isomeric Smiles
n1coc(c1C(=O)OCC)c1c(c(ccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4365883
LogD (pH = 7.4)
3.4365883
Log P
3.2365882
Molar Refractivity
67.7926
Polarizability
27.38209
Polar Surface Area
52.33
Rotatable Bonds
4
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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