Molecule

ID:16668

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O
Molecular Mass
282.38008
Exact Mass
282.17321333
Charge
0
InChI
InChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20/h2-10,18-19H,11-14H2,1H3
InChIKey
QEBOYBVMAZLNLX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccccc1)N1CCNCC1
Isomeric Smiles
C(c1ccc(cc1)OC)(c1ccccc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.1757509
LogD (pH = 7.4)
1.1592771
Log P
3.005283
Molar Refractivity
86.1021
Polarizability
34.014263
Polar Surface Area
24.5
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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