Molecule

ID:84708

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉NO₅
Molecular Mass
295.24636
Exact Mass
295.04807239
Charge
0
InChI
InChI=1S/C16H9NO5/c18-9-10-4-5-14-12(6-10)8-15(22-14)16(19)11-2-1-3-13(7-11)17(20)21/h1-9H
InChIKey
IWAIXMUXSLYQRE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)cc(o2)C(=O)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(ccc1)C(=O)c1cc2c(ccc(c2)C=O)o1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1642098
LogD (pH = 7.4)
3.1642098
Log P
3.1642098
Molar Refractivity
79.2608
Polarizability
30.122671
Polar Surface Area
93.1
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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