Molecule

ID:79187

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂O₂
Molecular Mass
227.12814
Exact Mass
226.05273511
Charge
0
InChI
InChI=1S/C9H16Cl2O2/c1-9(2,6-11)7-13-8(12)4-3-5-10/h3-7H2,1-2H3
InChIKey
PZYUSKUELFHWEH-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)OCC(CCl)(C)C
Isomeric Smiles
O=C(OCC(CCl)(C)C)CCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.681691
LogD (pH = 7.4)
2.681691
Log P
2.681691
Molar Refractivity
54.5884
Polarizability
21.796335
Polar Surface Area
26.3
Rotatable Bonds
7
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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