Molecule

ID:65324

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₄
Molecular Mass
240.2955
Exact Mass
240.13615912
Charge
0
InChI
InChI=1S/C13H20O4/c1-3-16-11(14)9-5-13(6-9)7-10(8-13)12(15)17-4-2/h9-10H,3-8H2,1-2H3
InChIKey
GNJWXXQQMIJNDT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC2(C1)CC(C2)C(=O)OCC
Isomeric Smiles
C12(CC(C1)C(=O)OCC)CC(C2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7970767
LogD (pH = 7.4)
1.7970767
Log P
1.7970767
Molar Refractivity
61.7417
Polarizability
24.785782
Polar Surface Area
52.6
Rotatable Bonds
6
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
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References
Bioactivity
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