Molecule

ID:33338

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄
Molecular Mass
231.28874
Exact Mass
231.14705816
Charge
0
InChI
InChI=1S/C11H21NO4/c1-4-15-10(13)6-8-12(3)9-7-11(14)16-5-2/h4-9H2,1-3H3
InChIKey
OXZUPKSEIKZASL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN(CCC(=O)OCC)C
Isomeric Smiles
C(=O)(CCN(CCC(=O)OCC)C)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.4679775
LogD (pH = 7.4)
-0.7961292
Log P
0.6255656
Molar Refractivity
60.5915
Polarizability
24.083075
Polar Surface Area
55.84
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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