Molecule

ID:95114

General Information
Structure
MolImage
Molecular Formula
C₆H₄BClF₃K
Molecular Mass
218.4534696
Exact Mass
217.96837455
Charge
0
InChI
InChI=1S/C6H4BClF3.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1
InChIKey
GXBSKMLVYJPMRT-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)Cl)(F)F.[K+]
Isomeric Smiles
[B-](c1ccc(cc1)Cl)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6477
LogD (pH = 7.4)
2.6477
Log P
2.6477
Molar Refractivity
34.783
Polarizability
13.86759
Polar Surface Area
0.0
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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