Molecule

ID:123024

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₂
Molecular Mass
270.11136
Exact Mass
269.00103389
Charge
0
InChI
InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3
InChIKey
BSSNTDZRVNQGDF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1Cl)cc(cc2)Cl
Isomeric Smiles
c1(c(c2c(nc1)ccc(c2)Cl)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6992586
LogD (pH = 7.4)
3.6992745
Log P
3.6992748
Molar Refractivity
66.3628
Polarizability
26.983746
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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