Molecule

ID:29791

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₃N
Molecular Mass
225.9939296
Exact Mass
224.94009576
Charge
0
InChI
InChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKey
SMZAZDGFGOHROS-UHFFFAOYSA-N
Canonic Smiles
Brc1cccnc1C(F)(F)F
Isomeric Smiles
c1(c(cccn1)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.788024
LogD (pH = 7.4)
2.788025
Log P
2.788025
Molar Refractivity
37.1256
Polarizability
13.94502
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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