Molecule

ID:96926

General Information
Structure
MolImage
Molecular Formula
C₆H₄BBrF₃K
Molecular Mass
262.9044696
Exact Mass
261.91785887
Charge
0
InChI
InChI=1S/C6H4BBrF3.K/c8-6-3-1-2-5(4-6)7(9,10)11;/h1-4H;/q-1;+1
InChIKey
NIDYRVJZTADCGO-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1cccc(c1)Br)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9215
LogD (pH = 7.4)
2.9215
Log P
2.9215
Molar Refractivity
37.601
Polarizability
15.023408
Polar Surface Area
0.0
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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