Molecule

ID:53579

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FN₂O₂
Molecular Mass
244.2211632
Exact Mass
244.06480576
Charge
0
InChI
InChI=1S/C13H9FN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H/b15-9+
InChIKey
VEQIRTJULHMQCM-OQLLNIDSSA-N
Canonic Smiles
Fc1ccc(cc1)/N=C/c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(/C=N/c2ccc(F)cc2)ccc1)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9299576
LogD (pH = 7.4)
3.9301898
Log P
3.930193
Molar Refractivity
68.9287
Polarizability
24.00348
Polar Surface Area
58.18
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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