Molecule

ID:104677

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₆INO₄
Molecular Mass
433.36581
Exact Mass
433.16890664
Charge
0
InChI
InChI=1S/C16H36N.HIO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
PYVXLMQALOZKES-UHFFFAOYSA-M
Canonic Smiles
[O-][I](=O)(=O)=O.CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
CCCC[N+](CCCC)(CCCC)CCCC.[O-][I](=O)(=O)=O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
12
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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