Molecule

ID:113938

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂
Molecular Mass
232.27834
Exact Mass
232.12117776
Charge
0
InChI
InChI=1S/C13H16N2O2/c1-11(17)14-6-8-15(9-7-14)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3
InChIKey
DYRIBKWUSUQUNN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(C=O)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8676889
LogD (pH = 7.4)
0.86780447
Log P
0.86780596
Molar Refractivity
67.3919
Polarizability
24.892912
Polar Surface Area
40.62
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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