Molecule

ID:71052

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-6-9-14(18-15)13(11-17)12-7-4-3-5-8-12/h3-10,13H,2H2,1H3
InChIKey
KNFWODCGAQJLJN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(n1)C(c1ccccc1)C#N
Isomeric Smiles
n1c(C(C#N)c2ccccc2)cccc1C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.075745
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0600374
LogD (pH = 7.4)
3.0599546
Log P
3.0600464
Molar Refractivity
74.8874
Polarizability
28.808546
Polar Surface Area
62.98
Rotatable Bonds
5
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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