Molecule

ID:66433

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O
Molecular Mass
282.38008
Exact Mass
282.17321333
Charge
0
InChI
InChI=1S/C18H22N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,21H,10-15H2
InChIKey
XMNZIYACKKYLJK-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(O)c1c(cccc1)N1CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.9666
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37851065
LogD (pH = 7.4)
2.1467297
Log P
2.8855326
Molar Refractivity
87.9652
Polarizability
33.554626
Polar Surface Area
26.71
Rotatable Bonds
4
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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