Molecule

ID:42606

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
MYHJCTUTPIKNAT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(C(=O)OCC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6661272
LogD (pH = 7.4)
1.6661272
Log P
1.6661272
Molar Refractivity
67.5881
Polarizability
26.655312
Polar Surface Area
55.84
Rotatable Bonds
5
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
References
Bioactivity
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