Molecule

ID:115674

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c18-15(16-9-4-1-5-10-16)12-17-11-8-13-6-2-3-7-14(13)17/h2-3,6-8,11H,1,4-5,9-10,12H2
InChIKey
WIRSKIQNAMGUIW-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)Cn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)CC(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.264443
LogD (pH = 7.4)
2.264443
Log P
2.264443
Molar Refractivity
71.8834
Polarizability
28.93366
Polar Surface Area
25.24
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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