Molecule

ID:112488

General Information
Structure
Molecular Formula
C₁₅H₁₉IN₂
Molecular Mass
354.22923
Exact Mass
354.05929662
Charge
0
InChI
InChI=1S/C15H19N2.HI/c1-3-16-11-8-14(9-12-16)13-15-7-5-6-10-17(15)4-2;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
WFIGNESCZVRCEF-UHFFFAOYSA-M
Canonic Smiles
CCn1cc/c(=C/c2cccc[n+]2CC)/cc1.[I-]
Isomeric Smiles
[I-].CCn1cc/c(=C/c2[n+](CC)cccc2)/cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.880057
LogD (pH = 7.4)
-2.1013138
Log P
-2.072607
Molar Refractivity
75.709
Polarizability
27.826347
Polar Surface Area
7.12
Rotatable Bonds
3
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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