Molecule

ID:15747

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c1-2-4-14-13(3-1)7-10-16(14)11-12-5-8-15-9-6-12/h1-4,12,15H,5-11H2
InChIKey
VABLPIUSNHGKPZ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CN1CCc2c1cccc2
Isomeric Smiles
N1CCC(CC1)CN1CCc2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1071011
LogD (pH = 7.4)
-0.5485743
Log P
2.225537
Molar Refractivity
68.7706
Polarizability
26.222336
Polar Surface Area
15.27
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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