Molecule

ID:14912

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-2-16-10-6-9-14(16)12-15-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
InChIKey
JMWQMSVWBMUOHQ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1ccccc1
Isomeric Smiles
C1(N(CCC1)CC)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4037683
LogD (pH = 7.4)
-0.05216837
Log P
2.3726118
Molar Refractivity
69.2849
Polarizability
27.447355
Polar Surface Area
15.27
Rotatable Bonds
5
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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