Molecule

ID:11863

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₃N
Molecular Mass
225.9939296
Exact Mass
224.94009576
Charge
0
InChI
InChI=1S/C6H3BrF3N/c7-2-1-3(8)4(9)5(10)6(2)11/h1H,11H2
InChIKey
AKJNEERVRJOBPD-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c(c(c1N)F)F
Isomeric Smiles
c1c(c(c(c(c1Br)N)F)F)F
Calculated Properties
JChem
Acid pKa
16.01975
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3411756
LogD (pH = 7.4)
2.3411782
Log P
2.3411782
Molar Refractivity
39.0304
Polarizability
14.021171
Polar Surface Area
26.02
Rotatable Bonds
0
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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