Molecule

ID:34923

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-12(18)17-9-7-14(8-10-17)16-11-13-3-5-15(19-2)6-4-13/h3-6,14,16H,7-11H2,1-2H3
InChIKey
FLNCNELEEPAVFG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(NCc2ccc(cc2)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5700357
LogD (pH = 7.4)
-1.6365943
Log P
0.62762386
Molar Refractivity
75.4915
Polarizability
29.579716
Polar Surface Area
41.57
Rotatable Bonds
4
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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