Molecule

ID:29119

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c1-4-16-8-9-17-14-7-5-6-13(10-14)11-15-12(2)3/h5-7,10,12,15H,4,8-9,11H2,1-3H3
InChIKey
CNMCDOSSKUVTEL-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)CNC(C)C
Isomeric Smiles
N(Cc1cc(OCCOCC)ccc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7385085
LogD (pH = 7.4)
0.2110233
Log P
2.4571388
Molar Refractivity
70.7287
Polarizability
27.960274
Polar Surface Area
30.49
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
No Data Available
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Molecule Details
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References
Bioactivity
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