Molecule
ID:67194
General Information
Molecular Formula
C₅H₂BrF₃N₂
Molecular Mass
226.9819896
Exact Mass
225.93534473
Charge
0
InChI
InChI=1S/C5H2BrF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChIKey
AGUIEFSLABIYOT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ncnc(c1)Br)(F)F
Isomeric Smiles
c1nc(cc(n1)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.287709
LogD (pH = 7.4)
2.287709
Log P
2.287709
Molar Refractivity
36.789
Polarizability
13.2909775
Polar Surface Area
25.78
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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