Molecule

ID:95326

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇FN₂O₆
Molecular Mass
306.2028832
Exact Mass
306.02881417
Charge
0
InChI
InChI=1S/C13H7FN2O6/c14-9-3-6-11(16(20)21)12(7-9)22-13(17)8-1-4-10(5-2-8)15(18)19/h1-7H
InChIKey
GANWZDYNQBLISZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1OC(=O)c1ccc(cc1)[N+](=O)[O-])F)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.6573515
LogD (pH = 7.4)
3.6573515
Log P
3.6573515
Molar Refractivity
72.7267
Polarizability
26.156456
Polar Surface Area
117.94
Rotatable Bonds
5
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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