Molecule

ID:118636

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO₂
Molecular Mass
284.13794
Exact Mass
283.01668396
Charge
0
InChI
InChI=1S/C13H11Cl2NO2/c1-3-18-13(17)9-6-16-12-7(2)10(14)5-4-8(12)11(9)15/h4-6H,3H2,1-2H3
InChIKey
UYCLNHQILNZPRZ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Cl)ccc2c1ncc(c2Cl)C(=O)OCC
Isomeric Smiles
c1(c(c2c(nc1)c(c(cc2)Cl)C)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.212674
LogD (pH = 7.4)
4.212696
Log P
4.212696
Molar Refractivity
71.404
Polarizability
28.748323
Polar Surface Area
39.19
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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