Molecule

ID:115675

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O
Molecular Mass
256.3428
Exact Mass
256.15756327
Charge
0
InChI
InChI=1S/C16H20N2O/c19-16(17-10-5-1-2-6-11-17)13-18-12-9-14-7-3-4-8-15(14)18/h3-4,7-9,12H,1-2,5-6,10-11,13H2
InChIKey
ZDACBWZEALXAQR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCCC1)Cn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)CC(=O)N1CCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7090116
LogD (pH = 7.4)
2.7090116
Log P
2.7090116
Molar Refractivity
76.4844
Polarizability
30.780128
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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