Molecule

ID:84356

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₂O₃
Molecular Mass
279.15964
Exact Mass
278.04764973
Charge
0
InChI
InChI=1S/C12H16Cl2O3/c1-3-15-11(16-4-2)8-17-12-9(13)6-5-7-10(12)14/h5-7,11H,3-4,8H2,1-2H3
InChIKey
RCGUDGMNTDETBY-UHFFFAOYSA-N
Canonic Smiles
CCOC(COc1c(Cl)cccc1Cl)OCC
Isomeric Smiles
O(c1c(cccc1Cl)Cl)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9692068
LogD (pH = 7.4)
3.9692068
Log P
3.9692068
Molar Refractivity
68.4526
Polarizability
27.279352
Polar Surface Area
27.69
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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