Molecule

ID:11361

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃
Molecular Mass
260.28844
Exact Mass
260.11609238
Charge
0
InChI
InChI=1S/C14H16N2O3/c1-19-7-6-15-14(18)9-16-8-11(10-17)12-4-2-3-5-13(12)16/h2-5,8,10H,6-7,9H2,1H3,(H,15,18)
InChIKey
MACJMJIASRJROC-UHFFFAOYSA-N
Canonic Smiles
COCCNC(=O)Cn1cc(c2c1cccc2)C=O
Isomeric Smiles
c1ccc2c(c1)c(cn2CC(=O)NCCOC)C=O
Calculated Properties
JChem
Acid pKa
15.311932
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.85592747
LogD (pH = 7.4)
0.85592747
Log P
0.85592747
Molar Refractivity
72.4722
Polarizability
28.535942
Polar Surface Area
60.33
Rotatable Bonds
6
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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