Molecule

ID:34552

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-2-19-15(18)13-6-10-17(11-7-13)12-8-14-5-3-4-9-16-14/h3-5,9,13H,2,6-8,10-12H2,1H3
InChIKey
DZPXSORTRMGNJS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)CCc1ccccn1
Isomeric Smiles
c1ccnc(c1)CCN1CCC(CC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.91798943
LogD (pH = 7.4)
0.8547223
Log P
1.5912675
Molar Refractivity
74.5206
Polarizability
29.328941
Polar Surface Area
42.43
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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