Molecule

ID:96202

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₂
Molecular Mass
206.1731832
Exact Mass
206.04915569
Charge
0
InChI
InChI=1S/C10H7FN2O2/c11-9-4-3-8(13(14)15)7-10(9)12-5-1-2-6-12/h1-7H
InChIKey
QOIPFOMYLGXYDR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1n1cccc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)F)n1cccc1)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6549
LogD (pH = 7.4)
2.6549
Log P
2.6549
Molar Refractivity
63.3515
Polarizability
19.869556
Polar Surface Area
50.75
Rotatable Bonds
2
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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