Molecule

ID:39959

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₂
Molecular Mass
282.12206
Exact Mass
281.00103389
Charge
0
InChI
InChI=1S/C13H9Cl2NO2/c1-16-6-8(4-10(16)7-17)13(18)11-3-2-9(14)5-12(11)15/h2-7H,1H3
InChIKey
JIECJZOAUXKLOV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cn1C)C(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(C(=O)c2c(cc(cc2)Cl)Cl)cn(c(c1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.576752
LogD (pH = 7.4)
3.576752
Log P
3.576752
Molar Refractivity
72.3601
Polarizability
27.155275
Polar Surface Area
39.07
Rotatable Bonds
3
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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