Molecule

ID:112506

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈N₂
Molecular Mass
200.36412
Exact Mass
200.22524891
Charge
0
InChI
InChI=1S/C12H28N2/c1-3-9-13-11-7-5-6-8-12-14-10-4-2/h13-14H,3-12H2,1-2H3
InChIKey
HATUUAQLQWALQM-UHFFFAOYSA-N
Canonic Smiles
CCCNCCCCCCNCCC
Isomeric Smiles
CCCNCCCCCCNCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.807721
LogD (pH = 7.4)
-3.3157113
Log P
2.6678386
Molar Refractivity
64.675
Polarizability
25.940214
Polar Surface Area
24.06
Rotatable Bonds
11
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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