Molecule

ID:124062

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c1-17-13(16)11-14-7-9-15(10-8-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKey
SHRXORSEWUBRPS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCN(CC1)c1ccccc1
Isomeric Smiles
N1(CCN(CC(=O)OC)CC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1522692
LogD (pH = 7.4)
1.5440937
Log P
1.5522866
Molar Refractivity
67.3904
Polarizability
25.920473
Polar Surface Area
32.78
Rotatable Bonds
4
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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