Molecule

ID:84222

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₄
Molecular Mass
274.01428
Exact Mass
271.9693111
Charge
0
InChI
InChI=1S/C10H12Cl4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2
InChIKey
NKVPORTUSHMWBV-UHFFFAOYSA-N
Canonic Smiles
ClC1(Cl)C2C1CCC1C(CC2)C1(Cl)Cl
Isomeric Smiles
ClC1(C2C1CCC1C(C1CC2)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3646755
LogD (pH = 7.4)
4.3646755
Log P
4.3646755
Molar Refractivity
62.5328
Polarizability
24.438593
Polar Surface Area
0.0
Rotatable Bonds
0
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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