Molecule

ID:85565

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO₂
Molecular Mass
284.13794
Exact Mass
283.01668396
Charge
0
InChI
InChI=1S/C13H11Cl2NO2/c1-3-8-6-4-5-7(2)11(8)16-12(17)9(14)10(15)13(16)18/h4-6H,3H2,1-2H3
InChIKey
NHRFTZYCKHERKF-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1N1C(=O)C(=C(C1=O)Cl)Cl)C
Isomeric Smiles
N1(c2c(cccc2CC)C)C(=O)C(=C(C1=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4950476
LogD (pH = 7.4)
3.4950476
Log P
3.4950476
Molar Refractivity
72.2917
Polarizability
27.118387
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
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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