Molecule

ID:110588

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄IN
Molecular Mass
227.08653
Exact Mass
227.01709745
Charge
0
InChI
InChI=1S/C6H14N.HI/c1-7(2,3)6-4-5-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
CUIZRFMVNMOSDG-UHFFFAOYSA-M
Canonic Smiles
C[N+](C1CC1)(C)C.[I-]
Isomeric Smiles
[I-].C[N+](C)(C)C1CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.5066025
LogD (pH = 7.4)
-3.5066025
Log P
-3.5066025
Molar Refractivity
43.1129
Polarizability
12.525586
Polar Surface Area
0.0
Rotatable Bonds
1
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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