Molecule

ID:100550

General Information
Structure
MolImage
Molecular Formula
C₆H₄BF₄K
Molecular Mass
201.9988728
Exact Mass
201.99792509
Charge
0
InChI
InChI=1S/C6H4BF4.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1
InChIKey
PXKNUQDMYBUYSZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)[B-](F)(F)F.[K+]
Isomeric Smiles
Fc1ccc(cc1)[B-](F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2692
LogD (pH = 7.4)
2.2692
Log P
2.2692
Molar Refractivity
30.1946
Polarizability
11.779006
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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