Molecule

ID:92171

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO₃
Molecular Mass
227.21546
Exact Mass
227.05824315
Charge
0
InChI
InChI=1S/C13H9NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H
InChIKey
UJHSIDUUJPTLDY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1[N+](=O)[O-])c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3725832
LogD (pH = 7.4)
3.3725832
Log P
3.3725832
Molar Refractivity
63.9582
Polarizability
23.835167
Polar Surface Area
62.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
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References
Bioactivity
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