Molecule

ID:13346

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-2-20-16-6-4-15(5-7-16)14-17-8-3-9-18-10-12-19-13-11-18/h4-7,17H,2-3,8-14H2,1H3
InChIKey
RKOCZCYQGXYZGD-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNCCCN1CCOCC1
Isomeric Smiles
C(CNCc1ccc(cc1)OCC)CN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3175461
LogD (pH = 7.4)
-0.75364566
Log P
1.5908351
Molar Refractivity
82.4768
Polarizability
32.439514
Polar Surface Area
33.73
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
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Molecule Details
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References
Bioactivity
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