Molecule

ID:24363

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₂
Molecular Mass
225.32722
Exact Mass
225.17287898
Charge
0
InChI
InChI=1S/C13H23NO2/c1-2-16-13(15)9-11-14-10-8-12-6-4-3-5-7-12/h6,14H,2-5,7-11H2,1H3
InChIKey
DJXYQTBGLYAICF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNCCC1=CCCCC1
Isomeric Smiles
C(=O)(CCNCCC1=CCCCC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1029855
LogD (pH = 7.4)
-0.21700794
Log P
2.1001382
Molar Refractivity
66.2681
Polarizability
25.994251
Polar Surface Area
38.33
Rotatable Bonds
8
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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