Molecule

ID:86846

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅Cl₄NO₂
Molecular Mass
336.9856
Exact Mass
334.90743913
Charge
0
InChI
InChI=1S/C12H5Cl4NO2/c13-6-1-7(14)3-9(2-6)19-12(18)10-4-8(15)5-17-11(10)16/h1-5H
InChIKey
HLSMNAROJGRLSF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)OC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C(=O)Oc1cc(cc(c1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0533648
LogD (pH = 7.4)
5.0533648
Log P
5.0533648
Molar Refractivity
75.9845
Polarizability
29.369144
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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