Molecule

ID:111437

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂
Molecular Mass
196.33236
Exact Mass
196.19394878
Charge
0
InChI
InChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3
InChIKey
ZSHOGSSMVWJOGA-UHFFFAOYSA-N
Canonic Smiles
CCN(CC#CCN(CC)CC)CC
Isomeric Smiles
CCN(CC)CC#CCN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.9336734
LogD (pH = 7.4)
-0.5902512
Log P
2.1098897
Molar Refractivity
65.565
Polarizability
24.832052
Polar Surface Area
6.48
Rotatable Bonds
8
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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