Molecule

ID:105924

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₈Br₂N₂
Molecular Mass
418.29432
Exact Mass
416.14017323
Charge
0
InChI
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
HLXQFVXURMXRPU-UHFFFAOYSA-L
Canonic Smiles
C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-]
Isomeric Smiles
[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-4.8711247
LogD (pH = 7.4)
-4.8711247
Log P
-4.8711247
Molar Refractivity
106.9504
Polarizability
33.17625
Polar Surface Area
0.0
Rotatable Bonds
11
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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