Molecule

ID:53682

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FN₂O₃
Molecular Mass
260.2205632
Exact Mass
260.05972038
Charge
0
InChI
InChI=1S/C13H9FN2O3/c14-10-7-4-8-11(16(18)19)12(10)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17)
InChIKey
GQVRPSFDUVNMDA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(F)cccc1[N+](=O)[O-])Nc1ccccc1
Isomeric Smiles
C(=O)(c1c(cccc1[N+](=O)[O-])F)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
10.403682
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1478117
LogD (pH = 7.4)
3.1474078
Log P
3.1478167
Molar Refractivity
69.1326
Polarizability
24.539133
Polar Surface Area
74.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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