Molecule

ID:86891

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)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3
InChIKey
WXYBQSXOZUFNJY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)Cc1cccc(c1)N
Isomeric Smiles
N1(CCC(C(=O)OCC)CC1)Cc1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1508708
LogD (pH = 7.4)
0.61428875
Log P
1.6615293
Molar Refractivity
77.2007
Polarizability
29.601238
Polar Surface Area
55.56
Rotatable Bonds
5
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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