Molecule

ID:77900

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₆N₂O₃
Molecular Mass
304.46864
Exact Mass
304.27259302
Charge
0
InChI
InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
InChIKey
QHOKENWFMZXSEU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
12
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
References
Bioactivity
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