Molecule

ID:53610

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂N₂
Molecular Mass
290.40208
Exact Mass
290.17829871
Charge
0
InChI
InChI=1S/C20H22N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-14H,1-8H2
InChIKey
UZKYKWKKBBAXMD-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)c1ccc2c(c1)c1CCCc3c1n2ccn3
Isomeric Smiles
n12c3c(c4c1ccc(c4)C1CCCCC1)CCCc3ncc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.406741
LogD (pH = 7.4)
4.4075456
Log P
4.407556
Molar Refractivity
90.9605
Polarizability
36.46379
Polar Surface Area
17.3
Rotatable Bonds
1
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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