Molecule

ID:111747

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₂O₄
Molecular Mass
346.33616
Exact Mass
346.09535694
Charge
0
InChI
InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H/b21-17-,22-18+
InChIKey
WMVSVUVZSYRWIY-QGFZOGOGSA-N
Canonic Smiles
O=C(c1ccccc1)O/N=C/1\C=C/C(=N/OC(=O)c2ccccc2)/C=C1
Isomeric Smiles
O=C(O/N=C\1/C=C/C(=N\OC(=O)c2ccccc2)/C=C1)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
5.4370294
LogD (pH = 7.4)
5.437206
Log P
5.437208
Molar Refractivity
98.3162
Polarizability
36.36995
Polar Surface Area
77.32
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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