Molecule

ID:53578

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FN₂O₃
Molecular Mass
260.2205632
Exact Mass
260.05972038
Charge
0
InChI
InChI=1S/C13H9FN2O3/c14-10-1-3-11(4-2-10)15-8-9-7-12(16(18)19)5-6-13(9)17/h1-8,17H/b15-8+
InChIKey
BZFOIXXBYDIQTE-OVCLIPMQSA-N
Canonic Smiles
Fc1ccc(cc1)/N=C/c1cc(ccc1O)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(/C=N/c2ccc(F)cc2)c(cc1)O)[O-]
Calculated Properties
JChem
Acid pKa
6.411968
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5768561
LogD (pH = 7.4)
2.6291513
Log P
3.6266274
Molar Refractivity
70.9096
Polarizability
24.655718
Polar Surface Area
78.41
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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