Molecule

ID:29194

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c1-12(2)11-17-14-6-4-13(5-7-14)10-15-8-9-16-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey
YXEUTEIFAUMXGE-UHFFFAOYSA-N
Canonic Smiles
COCCNCc1ccc(cc1)OCC(C)C
Isomeric Smiles
O(c1ccc(cc1)CNCCOC)CC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4823749
LogD (pH = 7.4)
0.963831
Log P
2.5712512
Molar Refractivity
70.5569
Polarizability
27.96034
Polar Surface Area
30.49
Rotatable Bonds
8
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
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References
Bioactivity
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