Molecule

ID:129422

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂O₂
Molecular Mass
239.13884
Exact Mass
238.05273511
Charge
0
InChI
InChI=1S/C10H16Cl2O2/c11-8-9(13)6-4-2-1-3-5-7-10(12)14/h1-8H2
InChIKey
ZWKPLZXTHPYAAC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)CCCCCCCC(=O)Cl
Isomeric Smiles
ClC(=O)CCCCCCCC(=O)CCl
Calculated Properties
JChem
Acid pKa
16.973974
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2246594
LogD (pH = 7.4)
3.2246594
Log P
3.2246594
Molar Refractivity
58.7048
Polarizability
23.053333
Polar Surface Area
34.14
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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