Molecule

ID:109017

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆IN
Molecular Mass
241.11311
Exact Mass
241.03274752
Charge
0
InChI
InChI=1S/C7H16N.HI/c1-8(2,3)6-7-4-5-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKey
BEJANMZWXMSYMW-UHFFFAOYSA-M
Canonic Smiles
C[N+](CC1CC1)(C)C.[I-]
Isomeric Smiles
[I-].C[N+](C)(C)CC1CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.1915898
LogD (pH = 7.4)
-3.1915898
Log P
-3.1915898
Molar Refractivity
47.8437
Polarizability
14.371663
Polar Surface Area
0.0
Rotatable Bonds
2
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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