Molecule

ID:72253

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₃
Molecular Mass
289.36942
Exact Mass
289.1677936
Charge
0
InChI
InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKey
JJWKHNYMWXFXJG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)CCc1ccccc1
Isomeric Smiles
N1(C(=O)CCc2ccccc2)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.271784
LogD (pH = 7.4)
2.271785
Log P
2.271785
Molar Refractivity
81.4818
Polarizability
31.82886
Polar Surface Area
46.61
Rotatable Bonds
6
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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