Molecule

ID:83927

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₃
Molecular Mass
286.11076
Exact Mass
284.99594851
Charge
0
InChI
InChI=1S/C12H9Cl2NO3/c1-18-8-4-2-7(3-5-8)6-15-11(16)9(13)10(14)12(15)17/h2-5H,6H2,1H3
InChIKey
MDKIXYCXEUCFSX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN1C(=O)C(=C(C1=O)Cl)Cl
Isomeric Smiles
N1(C(=O)C(=C(C1=O)Cl)Cl)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9324796
LogD (pH = 7.4)
1.9324796
Log P
1.9324796
Molar Refractivity
68.9065
Polarizability
26.181002
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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