Molecule

ID:97996

General Information
Structure
Molecular Formula
C₇H₇BF₃K
Molecular Mass
198.0349896
Exact Mass
198.02299696
Charge
0
InChI
InChI=1S/C7H7BF3.K/c9-8(10,11)6-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1
InChIKey
WGHDAVWURFVTQC-UHFFFAOYSA-N
Canonic Smiles
F[B-](Cc1ccccc1)(F)F.[K+]
Isomeric Smiles
[B-](Cc1ccccc1)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2854
LogD (pH = 7.4)
2.2854
Log P
2.2854
Molar Refractivity
34.5656
Polarizability
13.686961
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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