Molecule

ID:53192

General Information
Structure
Molecular Formula
C₁₉H₂₂N₂
Molecular Mass
278.39138
Exact Mass
278.17829871
Charge
0
InChI
InChI=1S/C19H22N2/c1-2-6-16(7-3-1)14-21-12-10-19(11-13-21)15-20-18-9-5-4-8-17(18)19/h1-9,20H,10-15H2
InChIKey
OFCNNQTXJKPKSI-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC2(CC1)CNc1c2cccc1
Isomeric Smiles
c1cccc2c1NCC12CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15401044
LogD (pH = 7.4)
1.8910729
Log P
3.1964629
Molar Refractivity
89.5686
Polarizability
34.008366
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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