Molecule

ID:33631

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂
Molecular Mass
206.32718
Exact Mass
206.17829871
Charge
0
InChI
InChI=1S/C13H22N2/c14-11-13(12-7-3-4-8-12)15-9-5-1-2-6-10-15/h12-13H,1-10H2
InChIKey
MDVRVFBOHNBGHG-UHFFFAOYSA-N
Canonic Smiles
N#CC(C1CCCC1)N1CCCCCC1
Isomeric Smiles
N1(C(C#N)C2CCCC2)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1080528
LogD (pH = 7.4)
2.6505709
Log P
2.9027073
Molar Refractivity
62.6843
Polarizability
24.593882
Polar Surface Area
27.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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