Molecule

ID:11688

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₃
Molecular Mass
294.38924
Exact Mass
294.1943427
Charge
0
InChI
InChI=1S/C16H26N2O3/c1-19-15-6-3-5-14(16(15)20-2)13-17-7-4-8-18-9-11-21-12-10-18/h3,5-6,17H,4,7-13H2,1-2H3
InChIKey
OHLMZBLSLLSREM-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCCCN2CCOCC2)cccc1OC
Isomeric Smiles
c1(c(CNCCCN2CCOCC2)cccc1OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.704515
LogD (pH = 7.4)
-0.6917876
Log P
1.0763559
Molar Refractivity
84.1914
Polarizability
33.109047
Polar Surface Area
42.96
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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