Molecule

ID:94407

General Information
Structure
MolImage
Molecular Formula
C₇H₄BF₆K
Molecular Mass
252.0063792
Exact Mass
251.99473153
Charge
0
InChI
InChI=1S/C7H4BF6.K/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14;/h1-4H;/q-1;+1
InChIKey
KVDSXGFQLXKOID-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)C(F)(F)F)(F)F.[K+]
Isomeric Smiles
[K+].[B-](c1ccc(cc1)C(F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0125
LogD (pH = 7.4)
3.0125
Log P
3.0125
Molar Refractivity
35.9519
Polarizability
13.5358
Polar Surface Area
0.0
Rotatable Bonds
2
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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