Molecule

ID:69242

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₃N₂
Molecular Mass
226.9819896
Exact Mass
225.93534473
Charge
0
InChI
InChI=1S/C5H2BrF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
InChIKey
RHCZXIKKGYOYQZ-UHFFFAOYSA-N
Canonic Smiles
Brc1nccc(n1)C(F)(F)F
Isomeric Smiles
c1(nc(ccn1)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3720374
LogD (pH = 7.4)
2.3720374
Log P
2.3720374
Molar Refractivity
36.4215
Polarizability
13.337814
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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