Molecule

ID:109009

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆Br₂N₂
Molecular Mass
488.34264
Exact Mass
486.12452316
Charge
0
InChI
InChI=1S/C22H36N2.2BrH/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6;;/h7-14H,1-6,15-22H2;2*1H/q+2;;/p-2
InChIKey
LIRRXQMOFBIDEE-UHFFFAOYSA-L
Canonic Smiles
C=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C.[Br-].[Br-]
Isomeric Smiles
[Br-].[Br-].C=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.2011447
LogD (pH = 7.4)
-3.2011447
Log P
-3.2011447
Molar Refractivity
135.1292
Polarizability
42.642338
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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