Molecule

ID:83040

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NO₂
Molecular Mass
296.14864
Exact Mass
295.01668396
Charge
0
InChI
InChI=1S/C14H11Cl2NO2/c1-2-19-14(18)11(9-17)5-8-13(16)10-3-6-12(15)7-4-10/h3-8H,2H2,1H3
InChIKey
TYWWSJQBRVLWBB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C(=C/C=C(/c1ccc(cc1)Cl)\Cl)/C#N
Isomeric Smiles
N#C/C(=C\C=C(\c1ccc(cc1)Cl)/Cl)/C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9693036
LogD (pH = 7.4)
3.9693036
Log P
3.9693036
Molar Refractivity
77.4708
Polarizability
28.987635
Polar Surface Area
50.09
Rotatable Bonds
5
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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