Molecule

ID:78006

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₉NO₂
Molecular Mass
301.50776
Exact Mass
301.29807949
Charge
0
InChI
InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
MCZDHTKJGDCTAE-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C.CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.O=C(C)[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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