Molecule

ID:80027

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₄
Molecular Mass
217.17758
Exact Mass
217.03750771
Charge
0
InChI
InChI=1S/C11H7NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChIKey
QBYRUURYXPVDAK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccccc1c1ccc(o1)C=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2532055
LogD (pH = 7.4)
2.2532055
Log P
2.2532055
Molar Refractivity
57.3713
Polarizability
21.926695
Polar Surface Area
76.03
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
References
Bioactivity
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