Molecule

ID:66867

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2
InChIKey
AFYZAHZKOFBVLE-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CC2C(C1)CCCN2
Isomeric Smiles
C12C(CCCN1)CN(C2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6467156
LogD (pH = 7.4)
-0.7028334
Log P
1.9488003
Molar Refractivity
67.1775
Polarizability
26.70416
Polar Surface Area
15.27
Rotatable Bonds
2
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
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References
Bioactivity
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