Molecule

ID:73532

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₃
Molecular Mass
280.27808
Exact Mass
280.08479225
Charge
0
InChI
InChI=1S/C16H12N2O3/c19-11-13-10-17(9-12-4-2-1-3-5-12)16-7-6-14(18(20)21)8-15(13)16/h1-8,10-11H,9H2
InChIKey
SOPMEIKWKUESBL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1
Isomeric Smiles
n1(c2c(cc(cc2)[N+](=O)[O-])c(c1)C=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6726434
LogD (pH = 7.4)
3.6726434
Log P
3.6726434
Molar Refractivity
80.5625
Polarizability
30.646894
Polar Surface Area
67.82
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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