Molecule

ID:95328

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₂NO₄
Molecular Mass
279.1957864
Exact Mass
279.03431415
Charge
0
InChI
InChI=1S/C13H7F2NO4/c14-8-5-6-11(16(18)19)12(7-8)20-13(17)9-3-1-2-4-10(9)15/h1-7H
InChIKey
RQLNGQUFVJJLIV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)OC(=O)c1ccccc1F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)F)OC(=O)c1ccccc1F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8600693
LogD (pH = 7.4)
3.8600693
Log P
3.8600693
Molar Refractivity
65.6184
Polarizability
23.911718
Polar Surface Area
72.12
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
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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