Molecule

ID:108490

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₀I₂N₂
Molecular Mass
456.18894
Exact Mass
456.04984497
Charge
0
InChI
InChI=1S/C12H30N2.2HI/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
LZYYNZUWBANDMX-UHFFFAOYSA-L
Canonic Smiles
C[N+](CCCCCC[N+](C)(C)C)(C)C.[I-].[I-]
Isomeric Smiles
[I-].[I-].C[N+](C)(C)CCCCCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-6.6493993
LogD (pH = 7.4)
-6.6493993
Log P
-6.6493993
Molar Refractivity
88.5464
Polarizability
25.790108
Polar Surface Area
0.0
Rotatable Bonds
7
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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