Molecule

ID:12984

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c18-11-12-9-17(14-4-2-1-3-13(12)14)10-15(19)16-5-7-20-8-6-16/h1-4,9,11H,5-8,10H2
InChIKey
PXFCWISLHMAPNY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)CC(=O)N1CCOCC1
Isomeric Smiles
c1ccc2c(c1)n(cc2C=O)CC(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9080786
LogD (pH = 7.4)
0.9080786
Log P
0.9080786
Molar Refractivity
75.3999
Polarizability
29.649082
Polar Surface Area
51.54
Rotatable Bonds
3
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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