Molecule

ID:84669

General Information
Structure
Molecular Formula
C₁₂H₉Cl₂NO₂
Molecular Mass
270.11136
Exact Mass
269.00103389
Charge
0
InChI
InChI=1S/C12H9Cl2NO2/c1-7(8-5-3-2-4-6-8)15-11(16)9(13)10(14)12(15)17/h2-7H,1H3
InChIKey
UXRVVKLFFIKFEZ-UHFFFAOYSA-N
Canonic Smiles
CC(N1C(=O)C(=C(C1=O)Cl)Cl)c1ccccc1
Isomeric Smiles
N1(C(=O)C(=C(C1=O)Cl)Cl)C(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.506726
LogD (pH = 7.4)
2.506726
Log P
2.506726
Molar Refractivity
66.8621
Polarizability
25.450926
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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