Molecule

ID:16193

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₃N
Molecular Mass
225.9939296
Exact Mass
224.94009576
Charge
0
InChI
InChI=1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChIKey
RPFAUCIXZGMCFN-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)C(F)(F)F
Isomeric Smiles
c1(cnc(cc1)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7880242
LogD (pH = 7.4)
2.788025
Log P
2.788025
Molar Refractivity
37.1256
Polarizability
13.943729
Polar Surface Area
12.89
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
References
Bioactivity
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