Molecule

ID:100362

General Information
Structure
MolImage
Molecular Formula
C₆H₄BBrF₄N₂
Molecular Mass
270.8179728
Exact Mass
269.95870342
Charge
0
InChI
InChI=1S/C6H4BrN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1
InChIKey
FXTCQUCYDJZGGU-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.Brc1ccc(cc1)[N+]#N
Isomeric Smiles
[B-](F)(F)(F)F.Brc1ccc(cc1)[N+]#N
Calculated Properties
JChem
Acid pKa
19.585032
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.578492
LogD (pH = 7.4)
2.578492
Log P
2.578492
Molar Refractivity
59.3269
Polarizability
14.514504
Polar Surface Area
28.15
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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