Molecule

ID:108695

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₆Br₂N₂
Molecular Mass
476.33194
Exact Mass
474.12452316
Charge
0
InChI
InChI=1S/C21H36N2.2BrH/c1-7-14-22(15-8-2,16-9-3)20-13-21-23(17-10-4,18-11-5)19-12-6;;/h7-12H,1-6,13-21H2;2*1H/q+2;;/p-2
InChIKey
NSQKOPCOSJZVGD-UHFFFAOYSA-L
Canonic Smiles
C=CC[N+](CC=C)(CC=C)CCC[N+](CC=C)(CC=C)CC=C.[Br-].[Br-]
Isomeric Smiles
[Br-].[Br-].C=CC[N+](CCC[N+](CC=C)(CC=C)CC=C)(CC=C)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.6684005
LogD (pH = 7.4)
-3.6684005
Log P
-3.6684005
Molar Refractivity
129.676
Polarizability
41.024094
Polar Surface Area
0.0
Rotatable Bonds
16
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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