Molecule

ID:13345

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-2-20-16-7-4-3-6-15(16)14-17-8-5-9-18-10-12-19-13-11-18/h3-4,6-7,17H,2,5,8-14H2,1H3
InChIKey
VCUVSKMNEDSISJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CNCCCN1CCOCC1
Isomeric Smiles
C(CNCc1c(cccc1)OCC)CN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.22528
LogD (pH = 7.4)
-0.29417023
Log P
1.5908351
Molar Refractivity
82.4768
Polarizability
32.43976
Polar Surface Area
33.73
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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