Molecule

ID:33488

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₃
Molecular Mass
280.27808
Exact Mass
280.08479225
Charge
0
InChI
InChI=1S/C16H12N2O3/c19-10-12-5-4-6-13(9-12)16-17-15(21-18-16)11-20-14-7-2-1-3-8-14/h1-10H,11H2
InChIKey
LYGAWYUALHLDSK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1noc(n1)COc1ccccc1
Isomeric Smiles
n1c(noc1COc1ccccc1)c1cc(C=O)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5528839
LogD (pH = 7.4)
3.5528839
Log P
3.5528839
Molar Refractivity
89.072
Polarizability
29.719187
Polar Surface Area
65.22
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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