Molecule

ID:53676

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₄
Molecular Mass
228.2848
Exact Mass
228.13615912
Charge
0
InChI
InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
InChIKey
MLHUKQNAQSRVKI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCCC1)C(=O)OCC
Isomeric Smiles
C1CCCCC1(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6432674
LogD (pH = 7.4)
2.6432674
Log P
2.6432674
Molar Refractivity
59.0995
Polarizability
23.66967
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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