Molecule

ID:108031

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₄IN
Molecular Mass
425.47453
Exact Mass
425.25184841
Charge
0
InChI
InChI=1S/C20H44N.HI/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
FBLZDUAOBOMSNZ-UHFFFAOYSA-M
Canonic Smiles
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[I-]
Isomeric Smiles
[I-].CCCCC[N+](CCCCC)(CCCCC)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1017036
LogD (pH = 7.4)
3.1017036
Log P
3.1017036
Molar Refractivity
109.8001
Polarizability
39.122406
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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