Molecule

ID:74454

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈BrN
Molecular Mass
266.26142
Exact Mass
265.1405119
Charge
0
InChI
InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKey
BGQMOFGZRJUORO-UHFFFAOYSA-M
Canonic Smiles
CCC[N+](CCC)(CCC)CCC.[Br-]
Isomeric Smiles
[N+](CCC)(CCC)(CCC)CCC.[Br-]
Calculated Properties
JChem
LogD (pH = 7.4)
-0.45
LogD (pH = 5.5)
-0.45
Log P
-0.45
Rotatable Bonds
8
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
25.47
Molar Refractivity
72.99
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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