Molecule

ID:42828

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₃N₂
Molecular Mass
226.9819896
Exact Mass
225.93534473
Charge
0
InChI
InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H
InChIKey
GIFDWXWNFKZVEI-UHFFFAOYSA-N
Canonic Smiles
FC(c1ncc(cn1)Br)(F)F
Isomeric Smiles
C(c1ncc(cn1)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3911777
LogD (pH = 7.4)
2.3911777
Log P
2.3911777
Molar Refractivity
35.9797
Polarizability
13.256497
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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