Molecule
ID:120421
General Information
Molecular Formula
C₁₄H₂₀Cl₂O₄
Molecular Mass
323.2122
Exact Mass
322.07386448
Charge
0
InChI
InChI=1S/C14H20Cl2O4/c1-3-19-13(17)11(14(18)20-4-2)9-7-5-6-8-10(9)12(15)16/h9,11H,3-8H2,1-2H3
InChIKey
WPAWDALMLDLLHX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C1CCCCC1=C(Cl)Cl)C(=O)OCC
Isomeric Smiles
C(C1C(=C(Cl)Cl)CCCC1)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
14.468446
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5125425
LogD (pH = 7.4)
3.5125425
Log P
3.5125425
Molar Refractivity
88.4738
Polarizability
30.880209
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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