Molecule

ID:83081

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₄N₂O₂
Molecular Mass
344.0213
Exact Mass
341.94963829
Charge
0
InChI
InChI=1S/C11H10Cl4N2O2/c12-6-7(13)9(15)11(17(18)19)10(8(6)14)16-4-2-1-3-5-16/h1-5H2
InChIKey
YOAFVGAVQFMSND-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(N2CCCCC2)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(c(c1N1CCCCC1)Cl)Cl)Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.287819
LogD (pH = 7.4)
5.287819
Log P
5.287819
Molar Refractivity
79.1725
Polarizability
29.702843
Polar Surface Area
49.06
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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