Molecule

ID:86159

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-3-17-12(15)7-10-14-8-5-11(6-9-14)13(16)18-4-2/h11H,3-10H2,1-2H3
InChIKey
BESKWXROPNXQKB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN1CCC(CC1)C(=O)OCC
Isomeric Smiles
N1(CCC(C(=O)OCC)CC1)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4481573
LogD (pH = 7.4)
0.31153795
Log P
0.9836802
Molar Refractivity
68.1894
Polarizability
27.031889
Polar Surface Area
55.84
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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