Molecule

ID:78747

General Information
Structure
Molecular Formula
C₁₁H₂₀I₂N₂
Molecular Mass
434.09884
Exact Mass
433.97159465
Charge
0
InChI
InChI=1S/C11H20N2.2HI/c1-12-9-6-5-7-11(12)8-10-13(2,3)4;;/h5-7,9H,8,10H2,1-4H3;2*1H/q+2;;/p-2
InChIKey
ITSSWBLWEGIADA-UHFFFAOYSA-L
Canonic Smiles
C[n+]1ccccc1CC[N+](C)(C)C.[I-].[I-]
Isomeric Smiles
[n+]1(ccccc1CC[N+](C)(C)C)C.[I-].[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-7.5560994
LogD (pH = 7.4)
-7.5560994
Log P
-7.5560994
Molar Refractivity
68.9395
Polarizability
22.054087
Polar Surface Area
3.88
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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