Molecule
ID:98021
General Information
Molecular Formula
C₅H₂F₂N₂O₂
Molecular Mass
160.0783864
Exact Mass
160.00843375
Charge
0
InChI
InChI=1S/C5H2F2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H
InChIKey
BEWIQKYGRIAYST-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(F)ccnc1F
Isomeric Smiles
Fc1c(c(ncc1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3748921
LogD (pH = 7.4)
1.3748921
Log P
1.3748921
Molar Refractivity
32.6733
Polarizability
11.119921
Polar Surface Area
58.71
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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