Molecule

ID:81086

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₄N₂
Molecular Mass
293.96416
Exact Mass
291.91285886
Charge
0
InChI
InChI=1S/C10H4Cl4N2/c11-6-4-2-1-3-5(6)10-15-8(13)7(12)9(14)16-10/h1-4H
InChIKey
VWMNHQJPJWDGTH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1nc(Cl)c(c(n1)Cl)Cl
Isomeric Smiles
n1c(c(c(nc1c1c(cccc1)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2416143
LogD (pH = 7.4)
5.2416143
Log P
5.2416143
Molar Refractivity
79.4752
Polarizability
26.62816
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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