Molecule

ID:1114

General Information
Structure
Loading...
Molecular Formula
C₁₆H₃₈N₂++
Molecular Mass
258.48632
Exact Mass
258.30349923
Charge
2
InChI
InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKey
MTCUAOILFDZKCO-UHFFFAOYSA-N
Canonic Smiles
C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C
Isomeric Smiles
[N+](CCCCCCCCCC[N+](C)(C)C)(C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-4.87
LogD (pH = 5.5)
-4.87
Log P
-4.87
Rotatable Bonds
11
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
35.93
Molar Refractivity
106.95
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
Loading...
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...