Molecule

ID:81050

General Information
Structure
Molecular Formula
C₁₇H₁₂N₂O₄
Molecular Mass
308.28818
Exact Mass
308.07970687
Charge
0
InChI
InChI=1S/C17H12N2O4/c20-18(14-6-2-1-3-7-14)12-16-9-10-17(23-16)13-5-4-8-15(11-13)19(21)22/h1-12H
InChIKey
XZWPJRWXBMJBGM-UHFFFAOYSA-N
Canonic Smiles
[O-]/[N+](=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/c1ccccc1
Isomeric Smiles
[N+](=O)(c1cc(ccc1)c1ccc(o1)/C=[N+](/c1ccccc1)\[O-])[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8307397
LogD (pH = 7.4)
3.830742
Log P
3.830742
Molar Refractivity
95.9605
Polarizability
32.68477
Polar Surface Area
87.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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